(R)-Ethyl 3-amino-3-phenylpropanoate

HCID 915086

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Basic information

CAS: 3082-68-6
Standard SMILES: CCOC(=O)C[C@@H](N)c1ccccc1
InChIKey: NUWRDXMXYDWUAN-SNVBAGLBSA-N
Molecular formula: C11H15NO2
Average molar mass: 193.24 g/mol
Monoisotopic mass: 193.11027872

Names & identifiers

Preferred name: (R)-Ethyl 3-amino-3-phenylpropanoate
IUPAC: ethyl (3R)-3-amino-3-phenylpropanoate
English name: (R)-3-Amino-3-phenylpropionicacidethylester
Molecular formula: C11H15NO2
Molecular weight: 193.24

Names & synonyms

3082-68-6(R)-Ethyl 3-amino-3-phenylpropanoateethyl (3R)-3-amino-3-phenylpropanoate(R)-BETA-PHENYLALANINE ETHYL ESTERMFCD06761764(R)-Ethyl3-amino-3-phenylpropanoatebeta-phenylalanine Ethyl Ester(betaR)-beta-Aminobenzenepropanoic Acid Ethyl Esterethyl (R)-3-amino-3-phenylpropanoate(?R)-?-Aminobenzenepropanoic Acid Ethyl EsterSCHEMBL1138682(R)-3-AMINO-3-PHENYLPROPANOIC ACID ETHYL ESTER

Show more names

(R)-3-Amino-3-phenylpropionicacidethylester(βR)-β-Aminobenzenepropanoic Acid Ethyl EsterBenzenepropanoic acid, β-amino-, ethyl ester, (βR)-Benzenepropanoic acid, b-aMino-, ethyl ester, (bR)-(βR)-β-Aminobenzenepropanoic Acid Ethyl Ester, CAS 3082-68-6

DTXSID40358774NUWRDXMXYDWUAN-SNVBAGLBSA-Nracemic beta-phenylalanine ethyl esterAKOS010393668ethyl (3R)-3-amino-3-phenyl-propanoateDB-336256EN300-148322

Database identifiers

CAS: 3082-68-6
PubChem CID: 915086
DTXSID: DTXSID40358774
EC Number: 608-545-1
Nikkaji: J1.302.445F

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 176

Physicochemical properties

Boiling point: 299 · 299.0±28.0 °C(Predicted)
Density: 1.075 · 1.075±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 7.75 · 7.75±0.10(Predicted)

Chemistry & industry

Applications

Uses(βR)-β-Aminobenzenepropanoic Acid Ethyl Ester is used in the three-step synthesis of β-amino acids. Also used in the microbial production of β-phenylalanine ethyl esters.