CAS 64090-98-8|CAS 70702-47-5|(2R)-2-Amino-3-(pyridin-3-yl)propionic acid|3-(Pyridin-3-yl)-D-alanine|(2S)-2-amino-3-(pyridin-3-yl)propanoic acid|(2S)-2-amino-3-(pyridin-3-yl)propanoic acid|3-Aza-D-p...

General Information

Structure

Molecular Formula

C₈H₁₀N₂O₂

Molecular Mass

166.1772

Exact Mass

166.07422757

Charge

InChI

InChI=1S/C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)/t7-/m0/s1

InChIKey

DFZVZEMNPGABKO-ZETCQYMHSA-N

Canonic Smiles

OC(=O)[C@H](Cc1cccnc1)N

Isomeric Smiles

N[C@@H](Cc1cnccc1)C(=O)O

Calculated Properties

JChem

Acid pKa

1.7772903

H Acceptors

H Donor

LogD (pH = 5.5)

-2.4048216

LogD (pH = 7.4)

-2.4068496

Log P

-2.4033532

Molar Refractivity

42.9594

Polarizability

17.006207

Polar Surface Area

76.21

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

(2R)-2-Amino-3-(pyridin-3-yl)propionic acid3-(Pyridin-3-yl)-D-alanine3-Aza-D-phenylalanine(2R)-2-Amino-3-(pyridin-3-yl)propanoic acid3-(3-吡啶基)-L-丙氨酸3-(3-Pyridyl)-L-alanine(S)-2-氨基-3-(3-吡啶基)丙酸3′-氮杂-L-苯丙氨酸3′-Aza-L-phenylalanine(S)-2-Amino-3-(3-pyridyl)propionic acid(2S)-2-amino-3-(pyridin-3-yl)propanoic acid

IUPAC name

(2S)-2-amino-3-(pyridin-3-yl)propanoic acid

IUPAC Traditional name

(2S)-2-amino-3-(pyridin-3-yl)propanoic acid

Names and Identifiers

Registration numbers

CAS Number

64090-98-870702-47-5

Beilstein Number

4351583

MDL Number

MFCD00079676MFCD00079673