Molecule ID: 57339229

IUPAC Name: 2-amino-3-(4-hydroxycyclohex-2-en-1-yl)propanoic acid

Description: The molecule is an alpha-amino acid that is alanine substituted at position 3 by a 4-hydroxycyclohex-2-en-1-yl group It is a secondary alcohol and a non-proteinogenic alpha-amino acid. It is a tautomer of a tetrahydrotyrosine zwitterion.

SMILES: NC(CC1C=CC(O)CC1)C(=O)O

SELFIES: [N][C][Branch1][=N][C][C][C][=C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H15NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1,3,6-8,11H,2,4-5,10H2,(H,12,13)

Molecular Properties:
- Polar Surface Area: 83.6 Ų
- LogP: -2.5