Molecular Identity
3-Indolepropionic acid
3-(1H-indol-3-yl)propanoic acid
PubChem CID: 3744
3-(1H-indol-3-yl)propanoic acid is an indol-3-yl carboxylic acid that is propionic acid substituted by a 1H-indol-3-yl group at position 3. It has a role as an auxin, a plant metabolite and a human metabolite. It is functionally related to a propionic acid. It is a conjugate acid of a 3-(1H-indol-3-yl)propanoate.
2D Structure
Properties
C11H11NO2
Molecular Formula
189.21
Molecular Weight
g/mol
189.0790
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
53.1
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
217
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
3-Indolepropionic acid830-96-6Indole-3-propionic acid1H-Indole-3-propanoic acidIndolepropionic acid3-(3-Indolyl)propionic acid3-(3-Indolyl)propanoic acidOxigon3-(Indol-3-yl)propionic acid1H-INDOLE-3-PROPIONIC ACID3-(3-Indole)propionic acidbeta-(3-Indolyl)propionic acid3-Indolepropionicacidindole-3-propanoic acidJF49U1Q7KN
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 3-Indolepropionic acid
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