Molecule ID: 440750

IUPAC Name: 2-hydroxy-3-(6-hydroxy-1H-indol-3-yl)propanoic acid

Description: The molecule is 2-hydroxy monocarboxylic acid consisting of lactic acid having a 6-hydroxyindol-3-yl group at the 3-position. It derives from a rac-lactic acid. It is a conjugate acid of a 3-(6-hydroxyindol-3-yl)lactate.

SMILES: O=C(O)C(O)Cc1c[nH]c2cc(O)ccc12

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

InChI: InChI=1S/C11H11NO4/c13-7-1-2-8-6(3-10(14)11(15)16)5-12-9(8)4-7/h1-2,4-5,10,12-14H,3H2,(H,15,16)

Molecular Properties:
- Polar Surface Area: 93.6 Ų
- LogP: 1.3