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Phenylpropanoic acids

Organic compounds consisting of a carboxylic acid with the formula: C9H10O2; also known as hydrocinnamic acid. They are widely used in cosmetics, as food additives, and in the pharmaceutical industry.
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1

(S)-3-(Boc-amino)-3-phenylpropionic acid, 95%

CAS: 103365-47-5 Molecular Formula: C14H19NO4 Molecular Weight (g/mol): 265.309 MDL Number: MFCD01860892 InChI Key: JTNQFJPZRTURSI-NSHDSACASA-N Synonym: boc-s-3-amino-3-phenylpropionic acid,s-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,s-3-n-boc-amino-beta-phenylalanine,s-n-boc-3-amino-3-phenylpropanoic acid,boc-d-beta-phe-oh,boc-d-beta-phenylalanine,s-boc-beta3-phenylalanine,boc-s-phenylalanine,3s-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,s-3-boc-amino-3-phenylpropionic acid PubChem CID: 2734490 IUPAC Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1

PubChem CID 2734490
CAS 103365-47-5
Molecular Weight (g/mol) 265.309
MDL Number MFCD01860892
SMILES CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1
Synonym boc-s-3-amino-3-phenylpropionic acid,s-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,s-3-n-boc-amino-beta-phenylalanine,s-n-boc-3-amino-3-phenylpropanoic acid,boc-d-beta-phe-oh,boc-d-beta-phenylalanine,s-boc-beta3-phenylalanine,boc-s-phenylalanine,3s-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,s-3-boc-amino-3-phenylpropionic acid
IUPAC Name (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
InChI Key JTNQFJPZRTURSI-NSHDSACASA-N
Molecular Formula C14H19NO4
2

(R)-3-(Boc-amino)-3-(4-bromophenyl)propionic acid, 95%

CAS: 261380-20-5 Molecular Formula: C14H18BrNO4 Molecular Weight (g/mol): 344.205 MDL Number: MFCD01320860 InChI Key: ZAMLGGRVTAXBHI-LLVKDONJSA-N Synonym: boc-r-3-amino-3-4-bromo-phenyl-propionic acid,r-3-4-bromophenyl-3-tert-butoxycarbonyl amino propanoic acid,r-boc-4-bromo-beta-phe-oh,boc-4-bromo-l-beta-phenylalanine,boc-beta-r-4-bromophenylalanine,r-n-boc-3-amino-3-4-bromophenyl propanoic acid,boc-r-4-beta-bromophenylalanine,r-3-boc-amino-3-4-bromophenyl propionic acid,boc-r-4-bromo-beta-phenylalanine,r-n-boc-beta-4-bromophenyl-beta-alanine PubChem CID: 7009110 IUPAC Name: (3R)-3-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=C(C=C1)Br

PubChem CID 7009110
CAS 261380-20-5
Molecular Weight (g/mol) 344.205
MDL Number MFCD01320860
SMILES CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=C(C=C1)Br
Synonym boc-r-3-amino-3-4-bromo-phenyl-propionic acid,r-3-4-bromophenyl-3-tert-butoxycarbonyl amino propanoic acid,r-boc-4-bromo-beta-phe-oh,boc-4-bromo-l-beta-phenylalanine,boc-beta-r-4-bromophenylalanine,r-n-boc-3-amino-3-4-bromophenyl propanoic acid,boc-r-4-beta-bromophenylalanine,r-3-boc-amino-3-4-bromophenyl propionic acid,boc-r-4-bromo-beta-phenylalanine,r-n-boc-beta-4-bromophenyl-beta-alanine
IUPAC Name (3R)-3-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI Key ZAMLGGRVTAXBHI-LLVKDONJSA-N
Molecular Formula C14H18BrNO4
3

(R)-3-(Boc-amino)-3-phenylpropionic acid, 95%, Thermo Scientific Chemicals

CAS: 161024-80-2 Molecular Formula: C14H19NO4 Molecular Weight (g/mol): 265.309 MDL Number: MFCD01320859 InChI Key: JTNQFJPZRTURSI-LLVKDONJSA-N Synonym: r-n-boc-3-amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,boc-r-3-amino-3-phenylpropionic acid,boc-beta-phe-oh,r-3-boc-amino-3-phenylpropionic acid,r-3-boc-amino-3-phenylpropanoic acid,boc-r-phenylalanine,3r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonylamino-3-phenyl-propionic acid PubChem CID: 7009108 IUPAC Name: (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1

PubChem CID 7009108
CAS 161024-80-2
Molecular Weight (g/mol) 265.309
MDL Number MFCD01320859
SMILES CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1
Synonym r-n-boc-3-amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,boc-r-3-amino-3-phenylpropionic acid,boc-beta-phe-oh,r-3-boc-amino-3-phenylpropionic acid,r-3-boc-amino-3-phenylpropanoic acid,boc-r-phenylalanine,3r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonylamino-3-phenyl-propionic acid
IUPAC Name (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
InChI Key JTNQFJPZRTURSI-LLVKDONJSA-N
Molecular Formula C14H19NO4
4

α-Methyl-DL-phenylalanine, 98%, Thermo Scientific™

CAS: 1132-26-9 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.22 MDL Number: MFCD00010512 InChI Key: IRZQDMYEJPNDEN-UHFFFAOYNA-N Synonym: alpha-methyl-dl-phenylalanine,2-amino-2-methyl-3-phenylpropionic acid,alpha-methylphenylalanine,h-dl-me phe-oh,h-alpha-me-dl-phe-oh,+/--2-amino-2-methyl-3-phenylpropionic acid,phenylalanine, alpha-methyl,2-amino-2-methyl-3-phenyl-propanoic acid,h-me-dl-phe-oh,2-methylphenylalanine # PubChem CID: 108055 IUPAC Name: 2-amino-2-methyl-3-phenylpropanoic acid SMILES: CC(C(N)C(O)=O)C1=CC=CC=C1

PubChem CID 108055
CAS 1132-26-9
Molecular Weight (g/mol) 179.22
MDL Number MFCD00010512
SMILES CC(C(N)C(O)=O)C1=CC=CC=C1
Synonym alpha-methyl-dl-phenylalanine,2-amino-2-methyl-3-phenylpropionic acid,alpha-methylphenylalanine,h-dl-me phe-oh,h-alpha-me-dl-phe-oh,+/--2-amino-2-methyl-3-phenylpropionic acid,phenylalanine, alpha-methyl,2-amino-2-methyl-3-phenyl-propanoic acid,h-me-dl-phe-oh,2-methylphenylalanine #
IUPAC Name 2-amino-2-methyl-3-phenylpropanoic acid
InChI Key IRZQDMYEJPNDEN-UHFFFAOYNA-N
Molecular Formula C10H13NO2
5

(R)-α-Methylphenylalanine hydrate, 98%, 98% ee, Thermo Scientific™

CAS: 17350-84-4 Molecular Formula: C10H13NO2·xH2O Molecular Weight (g/mol): 197.23 InChI Key: HYOWVAAEQCNGLE-SNVBAGLBSA-N Synonym: r-2-amino-2-methyl-3-phenylpropanoic acid,alpha-methyl-d-phenylalanine,alpha-methyl-d-phe,2r-2-amino-2-methyl-3-phenylpropanoic acid,a-benzyl-d-ala,d-alpha-methyl phenylalanine,h-alpha-me-d-phe-oh,r-2-amimo-2-methyl-3-phenylpropanoic acid,r-2-amino-2-methyl-3-phenylpropionic acid,alpha-benzyl-d-ala PubChem CID: 7023409 IUPAC Name: (2R)-2-amino-2-methyl-3-phenylpropanoic acid SMILES: CC(CC1=CC=CC=C1)(C(=O)O)N

PubChem CID 7023409
CAS 17350-84-4
Molecular Weight (g/mol) 197.23
SMILES CC(CC1=CC=CC=C1)(C(=O)O)N
Synonym r-2-amino-2-methyl-3-phenylpropanoic acid,alpha-methyl-d-phenylalanine,alpha-methyl-d-phe,2r-2-amino-2-methyl-3-phenylpropanoic acid,a-benzyl-d-ala,d-alpha-methyl phenylalanine,h-alpha-me-d-phe-oh,r-2-amimo-2-methyl-3-phenylpropanoic acid,r-2-amino-2-methyl-3-phenylpropionic acid,alpha-benzyl-d-ala
IUPAC Name (2R)-2-amino-2-methyl-3-phenylpropanoic acid
InChI Key HYOWVAAEQCNGLE-SNVBAGLBSA-N
Molecular Formula C10H13NO2·xH2O
6

(S)-alpha-Methylphenylalanine hydrate, 98%, 98% ee, Thermo Scientific™

CAS: 23239-35-2 Molecular Formula: C10H13NO2·xH2O Molecular Weight (g/mol): 179.22 InChI Key: HYOWVAAEQCNGLE-JTQLQIEISA-N Synonym: alpha-methyl-l-phenylalanine,s-2-amino-2-methyl-3-phenylpropanoic acid,alpha-methyl-l-phe,alpha-methylphenylalanine,2s-2-amino-2-methyl-3-phenylpropanoic acid,l-alpha-methylphenylalanine,alpha-benzyl-l-ala,s-2-amino-2-methyl-3-phenylpropionic acid,s-2-amimo-2-methyl-3-phenylpropanoic acid,s-alpha-methylphenylalanine PubChem CID: 2724754 IUPAC Name: (2S)-2-amino-2-methyl-3-phenylpropanoic acid SMILES: CC(CC1=CC=CC=C1)(C(=O)O)N

PubChem CID 2724754
CAS 23239-35-2
Molecular Weight (g/mol) 179.22
SMILES CC(CC1=CC=CC=C1)(C(=O)O)N
Synonym alpha-methyl-l-phenylalanine,s-2-amino-2-methyl-3-phenylpropanoic acid,alpha-methyl-l-phe,alpha-methylphenylalanine,2s-2-amino-2-methyl-3-phenylpropanoic acid,l-alpha-methylphenylalanine,alpha-benzyl-l-ala,s-2-amino-2-methyl-3-phenylpropionic acid,s-2-amimo-2-methyl-3-phenylpropanoic acid,s-alpha-methylphenylalanine
IUPAC Name (2S)-2-amino-2-methyl-3-phenylpropanoic acid
InChI Key HYOWVAAEQCNGLE-JTQLQIEISA-N
Molecular Formula C10H13NO2·xH2O
7

(R)-N-BOC-3-Amino-3-phenylpropanoic acid, 95%, 98% ee, Thermo Scientific™

CAS: 161024-80-2 Molecular Formula: C14H19NO4 Molecular Weight (g/mol): 265.31 MDL Number: MFCD01320859 InChI Key: JTNQFJPZRTURSI-LLVKDONJSA-N Synonym: r-n-boc-3-amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,boc-r-3-amino-3-phenylpropionic acid,boc-beta-phe-oh,r-3-boc-amino-3-phenylpropionic acid,r-3-boc-amino-3-phenylpropanoic acid,boc-r-phenylalanine,3r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonylamino-3-phenyl-propionic acid PubChem CID: 7009108 IUPAC Name: (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1

PubChem CID 7009108
CAS 161024-80-2
Molecular Weight (g/mol) 265.31
MDL Number MFCD01320859
SMILES CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1
Synonym r-n-boc-3-amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,boc-r-3-amino-3-phenylpropionic acid,boc-beta-phe-oh,r-3-boc-amino-3-phenylpropionic acid,r-3-boc-amino-3-phenylpropanoic acid,boc-r-phenylalanine,3r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonylamino-3-phenyl-propionic acid
IUPAC Name (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
InChI Key JTNQFJPZRTURSI-LLVKDONJSA-N
Molecular Formula C14H19NO4
8

(R)-3-(Boc-amino)-3-(3-bromophenyl)propionic acid, 97%, Thermo Scientific™

CAS: 501015-16-3 Molecular Formula: C14H18BrNO4 Molecular Weight (g/mol): 344.205 MDL Number: MFCD03427962 InChI Key: UTYRIGRZLZNTLR-LLVKDONJSA-N Synonym: r-n-boc-3-bromo-beta-phenylalanine,r-3-3-bromophenyl-3-tert-butoxycarbonyl amino propanoic acid,boc-r-3-amino-3-3-bromo-phenyl-propionic acid,r-3-boc-amino-3-3-bromophenyl propionic acid,boc-s-3-amino-3-3-bromophenyl-propionic acid,3r-3-3-bromophenyl-3-tert-butoxycarbonyl amino propanoic acid,boc-r-3-amino-3-3-bromophenyl-propionic acid,boc-d-?-phe 3-br-oh,boc-d-beta-phe 3-br-oh PubChem CID: 2761727 IUPAC Name: (3R)-3-(3-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC(=CC=C1)Br

PubChem CID 2761727
CAS 501015-16-3
Molecular Weight (g/mol) 344.205
MDL Number MFCD03427962
SMILES CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC(=CC=C1)Br
Synonym r-n-boc-3-bromo-beta-phenylalanine,r-3-3-bromophenyl-3-tert-butoxycarbonyl amino propanoic acid,boc-r-3-amino-3-3-bromo-phenyl-propionic acid,r-3-boc-amino-3-3-bromophenyl propionic acid,boc-s-3-amino-3-3-bromophenyl-propionic acid,3r-3-3-bromophenyl-3-tert-butoxycarbonyl amino propanoic acid,boc-r-3-amino-3-3-bromophenyl-propionic acid,boc-d-?-phe 3-br-oh,boc-d-beta-phe 3-br-oh
IUPAC Name (3R)-3-(3-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI Key UTYRIGRZLZNTLR-LLVKDONJSA-N
Molecular Formula C14H18BrNO4
9

(R)-3-(Boc-amino)-3-(3-chlorophenyl)propionic acid, 98%, Thermo Scientific™

CAS: 500789-06-0 Molecular Formula: C14H18ClNO4 Molecular Weight (g/mol): 299.751 MDL Number: MFCD03427959 InChI Key: UDUKZORPLJUWTF-LLVKDONJSA-N Synonym: r-3-tert-butoxycarbonyl amino-3-3-chlorophenyl propanoic acid,boc-r-3-amino-3-3-chlorophenyl propionic acid,r-3-boc-amino-3-3-chlorophenyl propionic acid,3r-3-tert-butoxy carbonylamino-3-3-chlorophenyl propanoic acid,3r-3-tert-butoxycarbonyl amino-3-3-chlorophenyl propanoic acid,boc-d-?-phe 3-cl-oh,boc-d-beta-phe 3-cl-oh,boc-phg 3-cl-c*ch2 oh,r-boc-3-chloro-beta-phenylalanine,boc-d-3-amino-3-3-chlorophenyl-propionic acid PubChem CID: 2761720 IUPAC Name: (3R)-3-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC(=CC=C1)Cl

PubChem CID 2761720
CAS 500789-06-0
Molecular Weight (g/mol) 299.751
MDL Number MFCD03427959
SMILES CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC(=CC=C1)Cl
Synonym r-3-tert-butoxycarbonyl amino-3-3-chlorophenyl propanoic acid,boc-r-3-amino-3-3-chlorophenyl propionic acid,r-3-boc-amino-3-3-chlorophenyl propionic acid,3r-3-tert-butoxy carbonylamino-3-3-chlorophenyl propanoic acid,3r-3-tert-butoxycarbonyl amino-3-3-chlorophenyl propanoic acid,boc-d-?-phe 3-cl-oh,boc-d-beta-phe 3-cl-oh,boc-phg 3-cl-c*ch2 oh,r-boc-3-chloro-beta-phenylalanine,boc-d-3-amino-3-3-chlorophenyl-propionic acid
IUPAC Name (3R)-3-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI Key UDUKZORPLJUWTF-LLVKDONJSA-N
Molecular Formula C14H18ClNO4