(R)-Methyl 2-amino-3-phenylpropanoate

HCID 853474

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Basic information

CAS: 21685-51-8
Standard SMILES: COC(=O)[C@H](N)Cc1ccccc1
InChIKey: VSDUZFOSJDMAFZ-SECBINFHSA-N
Molecular formula: C10H13NO2
Average molar mass: 179.22 g/mol
Monoisotopic mass: 179.09462866

Names & identifiers

Preferred name: (R)-Methyl 2-amino-3-phenylpropanoate
IUPAC: methyl (2R)-2-amino-3-phenylpropanoate

Names & synonyms

21685-51-8(R)-Methyl 2-amino-3-phenylpropanoateD-phenylalanine methyl estermethyl (2R)-2-amino-3-phenylpropanoatemethyl d-phenylalaninateD-Phenylalanine, Methyl ester(R)-2-Amino-3-phenylpropionic acid methylesterMFCD07786601(R)-METHYL2-AMINO-3-PHENYLPROPANOATED-Phenylalanine, methylesterHDPheOMeD-Phe-OMe

Show more names

HY9FCC3QDXH-D-Phe-OCH3(R)-2-Amino-3-phenylpropionic acid methyl ester(2R)-2-Amino-3-phenylpropionic acid methyl esterD-phenyl alanine methyl esterCHEMBL53697SCHEMBL186022(D)-phenylalanine methyl ester

Database identifiers

CAS: 21685-51-8
PubChem CID: 853474
DTXSID: DTXSID501306319
ChEMBL: CHEMBL53697
UNII: HY9FCC3QDX
EC Number: 887-597-9
Nikkaji: J31.466H

Properties

Computed structural propertiesFilling in

XLogP: 1.1
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 164

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.