Molecule ID: 4255608

IUPAC Name: 2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanoic 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 phenylalanine. It has a role as a plant metabolite. It is an indoleacetic acid amide conjugate and a phenylalanine derivative. It derives from an indole-3-acetic acid.

SMILES: O=C(O)C(Cc1ccccc1)N=C(O)Cc1c[nH]c2ccccc12

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

InChI: InChI=1S/C19H18N2O3/c22-18(11-14-12-20-16-9-5-4-8-15(14)16)21-17(19(23)24)10-13-6-2-1-3-7-13/h1-9,12,17,20H,10-11H2,(H,21,22)(H,23,24)

Molecular Properties:
- Polar Surface Area: 82.2 Ų
- LogP: 2.0