CAS 943-73-7|(2S)-2-amino-4-phenylbutanoic acid|(2S)-2-amino-4-phenylbutanoic acid|L-Homophenylalanine|(2S)-2-Amino-4-phenylbutanoic Acid|L-2-Amino-4-phenylbutyric Acid|(αS)-α-Aminobenzenebutanoic...

General Information

Structure

Molecular Formula

C₁₀H₁₃NO₂

Molecular Mass

179.21572

Exact Mass

179.09462866

Charge

InChI

InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1

InChIKey

JTTHKOPSMAVJFE-VIFPVBQESA-N

Canonic Smiles

N[C@H](C(=O)O)CCc1ccccc1

Isomeric Smiles

C(=O)([C@@H](N)CCc1ccccc1)O

Calculated Properties

JChem

Acid pKa

2.5506964

H Acceptors

H Donor

LogD (pH = 5.5)

-0.74004483

LogD (pH = 7.4)

-0.7427322

Log P

-0.7398533

Molar Refractivity

49.7173

Polarizability

19.728127

Polar Surface Area

63.32

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

(2S)-2-amino-4-phenylbutanoic acid

IUPAC name

(2S)-2-amino-4-phenylbutanoic acid

Synonyms

L-Homophenylalanine(2S)-2-Amino-4-phenylbutanoic AcidL-2-Amino-4-phenylbutyric Acid(αS)-α-Aminobenzenebutanoic Acid(S)-HomophenylalanineL-γ-PhenylbutyrineL-BenzylalanineH-Homophe-OH(S)-2-Amino-4-phenylbutyric acidL-HomophenylalanineL-同苯基丙氨酸

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

CAS Number

MDL Number

EC Number