Molecule ID: 57339254

IUPAC Name: 2-azaniumyl-3-(4-hydroxycyclohex-2-en-1-yl)propanoate

Description: The molecule is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of tetrahydrotyrosine; major species at pH 7.3. It is a tautomer of a tetrahydrotyrosine.

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: 88.0 Ų
- LogP: -1.8