Molecule ID: 9577

IUPAC Name: 2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid

Description: The molecule is a non-proteinogenic alpha-amino acid that is tryptophan in which the hydrogen at position 5 on the indole ring is replaced by a fluoro group. It is a tryptophan derivative, an organofluorine compound and a non-proteinogenic alpha-amino acid.

SMILES: NC(Cc1c[nH]c2ccc(F)cc12)C(=O)O

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

InChI: InChI=1S/C11H11FN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)

Molecular Properties:
- Polar Surface Area: 79.1 Ų
- LogP: -0.7