isobutyric acid

Ligand id: 1060

Name: isobutyric acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 37.3
Molecular weight 88.05
XLogP 0.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
2-Methylpropanoic acid
Synonyms
isobutyrate
Database Links
CAS Registry No. 79-31-2 (source: DrugBank)
ChEBI CHEBI:16135
ChEMBL Ligand CHEMBL108778
DrugBank Ligand DB02531
Human Metabolome Database HMDB01873
PubChem CID 6590
RCSB PDB Ligand ALQ
Search Google for chemical match using the InChIKey KQNPFQTWMSNSAP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KQNPFQTWMSNSAP
Wikipedia Isobutyric_acid