3-Indolepropionic acid

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Systematic / IUPAC Name: 3-(1H-Indol-3-yl)propanoic acid

ID: Reference13741

Other Names: 1H-Indole-3-propanoic acid;
AA-4019

Formula: C11H11NO2

Class: Endogenous Metabolites

Spectral Data

3-Indolepropionic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 1419
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/16/2026 1:43:47 PM
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Identificators

InChI InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)
InChI Key GOLXRNDWAUTYKT-UHFFFAOYSA-N
Canonical SMILES C1=CC=C2C(=C1)C(=CN2)CCC(=O)O
CAS
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Other Names 1H-Indole-3-propanoic acid;
AA-4019

In Other Databases

HMDb HMDB0002302
ChEBI CHEBI:43580
DrugBank DB02758
KEGG C22236
PubChem 3744; 3744
ChemSpider 3613
ChEMBL CHEMBL207225
Wikipedia 3-Indolepropionic acid