pentanoic acid

Ligand id: 1061

Name: pentanoic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 37.3
Molecular weight 102.07
XLogP 1.31
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
Pentanoic acid
Synonyms
n-pentanoic acid | N-valeric acid | pentanoate | valeric acid
Database Links
CAS Registry No. 109-52-4
ChEBI CHEBI:17418
ChEMBL Ligand CHEMBL268736
DrugBank Ligand DB02406
PubChem CID 7991
RCSB PDB Ligand LEA
Search Google for chemical match using the InChIKey NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NQPDZGIKBAWPEJ
Search UniChem for chemical match using the InChIKey NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NQPDZGIKBAWPEJ
Wikipedia Pentanoic_acid