Molecule ID: 14187216

IUPAC Name: (2S)-2-amino-3-(3-bromo-4-hydroxyphenyl)propanoic acid

Description: The molecule is a bromoamino acid comprising an L-tyrosine core with a bromo- substituent ortho to the hydroxy group on the benzene ring. It is a bromoamino acid, a L-tyrosine derivative, a member of bromobenzenes and a non-proteinogenic L-alpha-amino acid.

SMILES: N[C@@H](Cc1ccc(O)c(Br)c1)C(=O)O

SELFIES: [N][C@@H1][Branch1][S][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Br][=C][Ring1][Branch2][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H10BrNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 83.6 Ų
- LogP: -1.7