3-Indolepropionic acid | SBID = 63 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 53.1
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 1.8
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3: 150.6
Sum Formula: C11H11NO2
M / g/mol: 189.214
Complexity: 217.0
Number of Conformers: 10.0

Identifiers

  • Tags: typical guest, drug
  • Name: 3-Indolepropionic acid
  • Preferred Abbreviation: 3-Indolepropionic acid
  • IUPAC Name: 3-(1H-indol-3-yl)propanoic acid
  • CAS: 830-96-6
  • CID: 3744
  • InChiKey: GOLXRNDWAUTYKT-UHFFFAOYSA-N
  • 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)
  • CanoSmiles: C1=CC=C2C(=C1)C(=CN2)CCC(=O)O
  • IsoSmiles: C1=CC=C2C(=C1)C(=CN2)CCC(=O)O