Molecule ID: 25200809

IUPAC Name: 2-[[2-(1H-indol-3-yl)acetyl]amino]pentanedioic acid

Description: The molecule is an indoleacetic acid amide conjugate obtained by formal condensation of the carboxy group of indole-3-acetic acid with the amino group of glutamic acid. It is a N-acylglutamic acid and an indoleacetic acid amide conjugate. It derives from an indole-3-acetic acid. It is a conjugate acid of a N-(indole-3-acetyl)glutamate(2-).

SMILES: O=C(O)CCC(N=C(O)Cc1c[nH]c2ccccc12)C(=O)O

SELFIES: [O][=C][Branch1][C][O][C][C][C][Branch2][Ring1][Ring2][N][=C][Branch1][C][O][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C15H16N2O5/c18-13(17-12(15(21)22)5-6-14(19)20)7-9-8-16-11-4-2-1-3-10(9)11/h1-4,8,12,16H,5-7H2,(H,17,18)(H,19,20)(H,21,22)

Molecular Properties:
- Polar Surface Area: 120.0 Ų
- LogP: 0.6