CAS 924-49-2|CAS 352-21-6|4-amino-3-hydroxybutyric acid|4-Amino-3-hydroxybutanoic acid|4-amino-3-hydroxybutanoic acid|DL-4-AMINO-3-HYDROXYBUTYRIC ACID|DL-gamma-AMINO-beta-HYDROXYBUTYRIC ACID|4-Amino...

General Information

Structure

Molecular Formula

C₄H₉NO₃

Molecular Mass

119.11916

Exact Mass

119.05824315

Charge

InChI

InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)

InChIKey

YQGDEPYYFWUPGO-UHFFFAOYSA-N

Canonic Smiles

NCC(CC(=O)O)O

Isomeric Smiles

O=C(O)CC(CN)O

Calculated Properties

JChem

LogD (pH = 7.4)

-3.81

LogD (pH = 5.5)

-3.82

Log P

-3.80

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

4.10

Polar Surface Area

83.55

Polarizability

11.35

Molar Refractivity

26.67

LOG S

0.73

Data Source

Names and Identifiers

IUPAC Traditional name

4-amino-3-hydroxybutyric acid gabob

Synonyms

4-Amino-3-hydroxybutanoic acidDL-4-AMINO-3-HYDROXYBUTYRIC ACIDDL-gamma-AMINO-beta-HYDROXYBUTYRIC ACID4-Amino-3-hydroxybutyric acid4-氨基-3-羟基丁酸DL-γ-氨基-β-羟基丁酸DL-γ-Amino-β-hydroxybutyric acidDL-γ-AMINO-β-HYDROXYBUTYRIC ACIDDL-4-Amino-3-hydroxybutyric acidDL-β-Amino-β-hydroxybutyric acid3-hydroxy-GABAgamma-Amino-beta-hydroxybutyric acid4-Amino-3-hydroxybutanoic acid4-amino-3-hydroxybutyric acidGABOBgamma-amino-beta-hydroxybutyric acid

IUPAC name

4-amino-3-hydroxybutanoic acid

Names and Identifiers

Registration numbers

EC Number

213-106-9

CAS Number

924-49-2352-21-6

PubChem SID

248910111620397268145020

MDL Number

MFCD00008141