Molecule ID: 11954214

IUPAC Name: 6-(2-amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4-tetrahydroquinoline-2,4-dicarboxylic acid

Description: The molecule is a tricarboxylic acid, an organic heterobicyclic compound and a member of orthoquinones. It is a conjugate acid of a 6-(2-azaniumyl-2-carboxylatoethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylate.

SMILES: NC(CC1=CC2=C(NC(C(=O)O)CC2C(=O)O)C(=O)C1=O)C(=O)O

SELFIES: [N][C][Branch2][Ring2][Ring1][C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch2][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][Ring1][P][=O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C14H14N2O8/c15-7(13(21)22)2-4-1-5-6(12(19)20)3-8(14(23)24)16-9(5)11(18)10(4)17/h1,6-8,16H,2-3,15H2,(H,19,20)(H,21,22)(H,23,24)

Molecular Properties:
- Polar Surface Area: 184.0 Ų
- LogP: -4.0