Molecule ID: 6918986

IUPAC Name: (2S)-2-azaniumyl-3-(4-hydroxy-3-iodophenyl)propanoate

Description: The molecule is zwitterionic form of 3-iodo-L-tyrosine having an anionic carboxy group and a protonated amino group; major species at pH 7.3. It is a tautomer of a 3-iodo-L-tyrosine.

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: 88.0 Ų
- LogP: -0.5