Molecule ID: 20401

IUPAC Name: 5-methoxy-1H-indole-2-carboxylic acid

Description: The molecule is an indolecarboxylic acid that is indole-2-carboxylic acid carrying an additional methoxy substituent at position 5. It has a role as a plant metabolite, a hypoglycemic agent and an EC 1.8.1.4 (dihydrolipoyl dehydrogenase) inhibitor. It is an indolecarboxylic acid and an aromatic ether.

SMILES: COc1ccc2[nH]c(C(=O)O)cc2c1

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

InChI: InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)

Molecular Properties:
- Polar Surface Area: 62.3 Ų
- LogP: 2.3