(3S)-3-amino-3-phenylpropanoic acid

HCID 686704CAS 40856-44-8

基本情報

標準SMILES: N[C@@H](CC(=O)O)c1ccccc1
InChIKey: UJOYFRCOTPUKAK-QMMMGPOBSA-N
分子式: C9H11NO2
平均分子量: 165.19 g/mol

概要

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

名称と識別子

優先名称: (3S)-3-amino-3-phenylpropanoic acid
IUPAC: (3S)-3-amino-3-phenylpropanoic acid

名称と別名

(3S)-3-amino-3-phenylpropanoic acidRefChem:401348(-)-3-Amino-3-phenylpropanoic acid609-874-3(s)-3-amino-3-phenylpropionic acid40856-44-8(s)-3-amino-3-phenylpropanoic acid(s)-beta-phenylalanineMFCD01076238(S)-ss-phenylalanineD-beta-PhenylalanineCambridge id 5100473

名称をさらに表示

(betaS)-beta-Aminobenzenepropanoic acidOprea1_051046SCHEMBL123765CHEBI:68525Benzenepropanoic acid, beta-amino-, (betaS)-C20488(S)-3-amino-3-phenylpropanoateL-beta-Phe-OH

データベース識別子

CAS: 40856-44-8
PubChem CID: 686704
ChEBI: CHEBI:68525
UNII: GZ5N3GS3WH
EC Number: 609-874-3
Nikkaji: J7.087D

物性

構造計算による物性

XLogP: -1.4
極性表面積: 63.3 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 153

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.