Molecule ID: 6921620

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

Description: The molecule is an N-acyl-L-aspartate(2-) obtained by deprotonation of the carboxy groups of N-(indole-3-acetyl)-L-aspartic acid. It has a role as a plant metabolite. It is a conjugate base of a N-(indole-3-acetyl)-L-aspartic acid.

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

SELFIES: [O][=C][Branch1][C][O-1][C][C@H1][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/C14H14N2O5/c17-12(16-11(14(20)21)6-13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/p-2/t11-/m0/s1

Molecular Properties:
- Polar Surface Area: 125.0 Ų
- LogP: 1.6