α-oxoadipic acid

Ligand id: 4657

Name: α-oxoadipic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 91.67
Molecular weight 160.04
XLogP -0.7
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
2-oxohexanedioic acid
Synonyms
α-ketoadipic acid | 2-ketoadipate | 2-oxoadipate
Database Links
CAS Registry No. 3184-35-8 (source: Scifinder)
ChEBI CHEBI:15753
PubChem CID 71
RCSB PDB Ligand OOG
Search Google for chemical match using the InChIKey FGSBNBBHOZHUBO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FGSBNBBHOZHUBO
Search UniChem for chemical match using the InChIKey FGSBNBBHOZHUBO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FGSBNBBHOZHUBO
Wikipedia Alpha-Ketoadipic acid