β-D-hydroxybutyric acid

Ligand id: 1593

Name: β-D-hydroxybutyric acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 57.53
Molecular weight 104.05
XLogP -0.5
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3R)-3-hydroxybutanoic acid
Synonyms
(R)-3-hydroxybutanoate | 3-hydroxybutyrate
Database Links
CAS Registry No. 300-85-6 (source: ChEBI)
ChEBI CHEBI:20067
ChEMBL Ligand CHEMBL1162484
PubChem CID 92135
RCSB PDB Ligand 3HR
Search Google for chemical match using the InChIKey WHBMMWSBFZVSSR-GSVOUGTGSA-N
Search Google for chemicals with the same backbone WHBMMWSBFZVSSR
Search UniChem for chemical match using the InChIKey WHBMMWSBFZVSSR-GSVOUGTGSA-N
Search UniChem for chemicals with the same backbone WHBMMWSBFZVSSR
Wikipedia Beta-Hydroxybutyric_acid