Molecule ID: 85479

IUPAC Name: (2S)-2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid

Description: The molecule is an optically active form of 4-hydroxytryptophan having L-configuration. It is a 4-hydroxytryptophan, a L-tryptophan derivative and a non-proteinogenic L-alpha-amino acid.

SMILES: N[C@@H](Cc1c[nH]c2cccc(O)c12)C(=O)O

SELFIES: [N][C@@H1][Branch2][Ring1][C][C][C][=C][NH1][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C11H12N2O3/c12-7(11(15)16)4-6-5-13-8-2-1-3-9(14)10(6)8/h1-3,5,7,13-14H,4,12H2,(H,15,16)/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 99.3 Ų
- LogP: -1.5