(3R)-3-amino-3-phenylpropanoic acid

HCID 686703

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Basic information

CAS: 13921-90-9
Standard SMILES: N[C@H](CC(=O)O)c1ccccc1
InChIKey: UJOYFRCOTPUKAK-MRVPVSSYSA-N
Molecular formula: C9H11NO2
Average molar mass: 165.19 g/mol
Monoisotopic mass: 165.07897859

Overview

(R)-3-amino-3-phenylpropanoic acid is an optically active form of 3-amino-3-phenylpropanoic acid having R-configuration. It is an enantiomer of a (S)-3-amino-3-phenylpropanoic acid. It is a tautomer of a (R)-3-ammonio-3-phenylpropanoate.

Names & identifiers

Preferred name: (3R)-3-amino-3-phenylpropanoic acid
IUPAC: (3R)-3-amino-3-phenylpropanoic acid

Names & synonyms

(3R)-3-amino-3-phenylpropanoic acid(+)-3-Amino-3-phenylpropanoic acidRefChem:400889604-118-913921-90-9(R)-3-amino-3-phenylpropionic acid(R)-3-AMINO-3-PHENYLPROPANOIC ACID(R)-3-Phenyl-beta-alanine(R)-beta-phenylalanineD-beta-PhenylalanineMFCD01076237(3R)-3-amino-3-phenyl-propanoic acid

Show more names

(R)-3-Amino-3-phenyl-propionic acidDK7F6342USCHEBI:671723-Amino-3-phenylpropanoic acid, (R)-(R)-3-AMINO-3-PHENYLPROPANOICACID(3r)-beta-phenylalanine(R)-3-amino-3-phenyl-propanoic acid(betaR)-beta-Aminobenzenepropanoic Acid

Database identifiers

CAS: 13921-90-9
PubChem CID: 686703
DTXSID: DTXSID301356956
ChEBI: CHEBI:67172
UNII: DK7F6342US
EC Number: 604-118-9
Nikkaji: J35.824J

Properties

Computed structural propertiesFilling in

XLogP: -1.4
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 153

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H228 (33.3%): Flammable solid [Danger Flammable solids]

P210, P235, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P407, P410, P413, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.