Molecule ID: 25200808

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

Description: The molecule is a dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of N-(indole-3-acetyl)glutamic acid. It has a role as a plant metabolite. It is a conjugate base of a N-(indole-3-acetyl)glutamic acid.

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

SELFIES: [O][=C][Branch1][C][O-1][C][C][C][Branch2][Ring1][Ring2][N][=C][Branch1][C][O-1][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)/p-2

Molecular Properties:
- Polar Surface Area: 125.0 Ų
- LogP: 1.9