β-L-hydroxybutyric acid

Ligand id: 4699

Name: β-L-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 Metabolite or derivative
IUPAC Name
(3S)-3-hydroxybutanoic acid
Synonyms
β-L-hydroxybutyrate
Database Links
CAS Registry No. 6168-83-8 (source: Scifinder)
ChEBI CHEBI:17290
ChEMBL Ligand CHEMBL1162497
GtoPdb PubChem SID 178101411
PubChem CID 94318
RCSB PDB Ligand 3HL
Search Google for chemical match using the InChIKey WHBMMWSBFZVSSR-VKHMYHEASA-N
Search Google for chemicals with the same backbone WHBMMWSBFZVSSR
Search UniChem for chemical match using the InChIKey WHBMMWSBFZVSSR-VKHMYHEASA-N
Search UniChem for chemicals with the same backbone WHBMMWSBFZVSSR