Molecule ID: 119058155

IUPAC Name: (1R,10aS)-1,4,10,10a-tetrahydrophenazine-1-carboxylic acid

Description: The molecule is a member of the class of phenazines that is 1,4,10,10a-tetrahydrophenazine substituted at position 1 by a carboxy group (the 1R,10aS-diastereomer). It has a role as a bacterial metabolite. It is a member of phenazines and an aromatic amino acid. It is a conjugate acid of a (1R,10aS)-1,4,10,10a-tetrahydrophenazine-1-carboxylate.

SMILES: O=C(O)[C@@H]1C=CCC2=Nc3ccccc3N[C@H]21

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

InChI: InChI=1S/C13H12N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-6,8,12,15H,7H2,(H,16,17)/t8-,12+/m1/s1

Molecular Properties:
- Polar Surface Area: 61.7 Ų
- LogP: 1.5