CAS 943-80-6|CAS 2410-24-4|4-Amino-L-phenylalanine|(2S)-2-amino-3-(4-aminophenyl)propanoic acid|4-amino-phenylalanine|4-Amino-L-phenylalanine|H-Phe(4-NH2)-OH|(S)-2-Amino-3-(4-aminophenyl)propionic a...

General Information

Structure

Molecular Formula

C₉H₁₂N₂O₂

Molecular Mass

180.20378

Exact Mass

180.08987763

Charge

InChI

InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1

InChIKey

CMUHFUGDYMFHEI-QMMMGPOBSA-N

Canonic Smiles

N[C@H](C(=O)O)Cc1ccc(cc1)N

Isomeric Smiles

N[C@@H](Cc1ccc(cc1)N)C(=O)O

Calculated Properties

JChem

LogD (pH = 7.4)

-2.02

LogD (pH = 5.5)

-2.19

Log P

-2.02

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

1.54

Polar Surface Area

89.34

Polarizability

18.66

Molar Refractivity

49.82

LOG S

-1.21

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

4-Amino-L-phenylalanine4-Amino-L-phenylalanineH-Phe(4-NH2)-OH(S)-2-Amino-3-(4-aminophenyl)propionic acid4-氨基-L-苯基丙氨酸p-AMINOPHENYL ALANINE(2S)-2-amino-3-(4-aminophenyl)propanoic acidpara-aminophenylalanine4-amino-L-phenylalaninep-amino-L-phenylalanine4-amino-L-phenylalanine

IUPAC name

(2S)-2-amino-3-(4-aminophenyl)propanoic acid

IUPAC Traditional name

4-amino-phenylalanine p-aminophenylalanine

Names and Identifiers

Registration numbers

CAS Number

943-80-62410-24-4

MDL Number

MFCD00069927

PubChem SID

162042249223441474