Molecule ID: 193806

IUPAC Name: (2S)-2-amino-3-(4-iodo-1H-imidazol-5-yl)propanoic acid

Description: The molecule is an iodoamino acid that is L-histidine derivative in which the imidazole ring is substituted by iodine at position 5. It is an iodoamino acid, a non-proteinogenic L-alpha-amino acid and a L-histidine derivative.

SMILES: N[C@@H](Cc1nc[nH]c1I)C(=O)O

SELFIES: [N][C@@H1][Branch1][#Branch2][C][C][N][=C][NH1][C][=Ring1][Branch1][I][C][=Branch1][C][=O][O]

InChI: InChI=1S/C6H8IN3O2/c7-5-4(9-2-10-5)1-3(8)6(11)12/h2-3H,1,8H2,(H,9,10)(H,11,12)/t3-/m0/s1

Molecular Properties:
- Polar Surface Area: 92.0 Ų
- LogP: -2.5