indole-3-propionic acid

Ligand id: 4709

Name: indole-3-propionic acid

Abbreviated name: IPA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 53.09
Molecular weight 189.08
XLogP 2.04
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
3-(1H-indol-3-yl)propanoic acid
Synonyms
3-indolepropionicacid | oxigon
Database Links
CAS Registry No. 830-96-6 (source: Scifinder)
ChEBI CHEBI:43580
ChEMBL Ligand CHEMBL207225
PubChem CID 3744
RCSB PDB Ligand IOP
Search Google for chemical match using the InChIKey GOLXRNDWAUTYKT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GOLXRNDWAUTYKT
Search UniChem for chemical match using the InChIKey GOLXRNDWAUTYKT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GOLXRNDWAUTYKT