propanoic acid   Click here for help

GtoPdb Ligand ID: 1062

Synonyms: propionate
PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 37.3
Molecular weight 74.04
XLogP 0.17
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCC(=O)O
Isomeric SMILES CCC(=O)O
InChI InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
InChI Key XBDQKXXYIPTUBI-UHFFFAOYSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
Propanoic acid
Synonyms Click here for help
propionate
Database Links Click here for help
BindingDB Ligand 50082199
CAS Registry No. 79-09-4 (source: DrugBank)
ChEBI CHEBI:30768
ChEMBL Ligand CHEMBL14021
DrugBank Ligand DB03766
GtoPdb PubChem SID 135651552
PubChem CID 1032
RCSB PDB Ligand PPI
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Wikipedia Propionate