CAS 19883-57-9|(S)-amino(4-fluorophenyl)acetic acid|(S)-(+)-4-(Fluorophenyl)glycine|(S)-(+)-Amino(4-fluorophenyl)acetic acid|(2S)-2-amino-2-(4-fluorophenyl)acetic acid|(S)-4-Fluorophenylglycine|L-(p...

General Information

Structure

Molecular Formula

C₈H₈FNO₂

Molecular Mass

169.1530232

Exact Mass

169.05390672

Charge

InChI

InChI=1S/C8H8FNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)/t7-/m0/s1

InChIKey

JKFYKCYQEWQPTM-ZETCQYMHSA-N

Canonic Smiles

N[C@@H](c1ccc(cc1)F)C(=O)O

Isomeric Smiles

Fc1ccc(cc1)[C@@H](C(=O)O)N

Calculated Properties

JChem

Acid pKa

1.5611964

H Acceptors

H Donor

LogD (pH = 5.5)

-1.3307201

LogD (pH = 7.4)

-1.3469683

Log P

-1.3306649

Molar Refractivity

40.5777

Polarizability

15.7752905

Polar Surface Area

63.32

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

(S)-amino(4-fluorophenyl)acetic acid

Synonyms

(S)-(+)-4-(Fluorophenyl)glycine(S)-(+)-Amino(4-fluorophenyl)acetic acid(S)-4-FluorophenylglycineL-(p-Fluorophenyl)glycine(S)-2-Amino-2-(4-fluorophenyl)ethanoic AcidL-(4-Fluorophenyl)glycineL-4-氟苯甘氨酸4-Fluoro-L-α-phenylglycine(αS)-α-Amino-4-fluorobenzeneacetic Acid(2S)-2-amino-2-(4-fluorophenyl)acetic acid(S)-Amino-(4-fluoro-phenyl)-acetic acid

IUPAC name

(2S)-2-amino-2-(4-fluorophenyl)acetic acid

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID