Molecule ID: 439744

IUPAC Name: (2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid

Description: The molecule is the monoiodotyrosine that is L-tyrosine carrying an iodo-substituent at position C-3 of the benzyl group. It has a role as a human metabolite, an EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor and a mouse metabolite. It is a L-tyrosine derivative, a non-proteinogenic L-alpha-amino acid and a monoiodotyrosine. It is a tautomer of a 3-iodo-L-tyrosine zwitterion.

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

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

InChI: InChI=1S/C9H10INO3/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: -1.1