Molecule ID: 5165230

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

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

SELFIES: [C][C][Branch1][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/C15H18N2O3/c1-9(2)14(15(19)20)17-13(18)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8-9,14,16H,7H2,1-2H3,(H,17,18)(H,19,20)

Molecular Properties:
- Polar Surface Area: 82.2 Ų
- LogP: 2.1