α-ketoisocaproate

Ligand id: 4656

Name: α-ketoisocaproate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 54.37
Molecular weight 130.06
XLogP 0.9
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-methyl-2-oxopentanoic acid
Synonyms
α-ketoisocaproic acid | 2-oxoisohexanoate | alpha-oxoisohexanoate
Database Links
CAS Registry No. 816-66-0 (source: Scifinder)
ChEMBL Ligand CHEMBL445647
PubChem CID 70
RCSB PDB Ligand COI
Search Google for chemical match using the InChIKey BKAJNAXTPSGJCU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BKAJNAXTPSGJCU
Search UniChem for chemical match using the InChIKey BKAJNAXTPSGJCU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BKAJNAXTPSGJCU
Wikipedia Alpha-Ketoisocaproic acid