Molecule ID: 107730

IUPAC Name: (2S)-2-amino-3-(2-fluoro-4,5-dihydroxyphenyl)propanoic acid

Description: The molecule is a non-proteinognic L-alpha-amino acid that is L-alanine in which one of the hydrogens of the methyl group has been replaced by a 2-fluoro-4,5-dihydroxyphenyl group. It is a fluorophenol, a non-proteinogenic L-alpha-amino acid and a member of catechols. It derives from a L-dopa.

SMILES: N[C@@H](Cc1cc(O)c(O)cc1F)C(=O)O

SELFIES: [N][C@@H1][Branch1][P][C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][F][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H10FNO4/c10-5-3-8(13)7(12)2-4(5)1-6(11)9(14)15/h2-3,6,12-13H,1,11H2,(H,14,15)/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: -2.0