7-oxo-1H,4H,5H,7H,8H,9H,9aH-imidazo[4,5-g]indolizine-5,9a-dicarboxylic acid

AlkaPlorer ID: AK448821

Synonym: None

IUPAC Name: (5S,9aR)-7-oxo-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizine-5,9a-dicarboxylic acid

Structure

SMILES: O=C(O)[C@@H]1CC2=C(NC=N2)[C@@]2(C(=O)O)CCC(=O)N12

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InChI: InChI=1S/C11H11N3O5/c15-7-1-2-11(10(18)19)8-5(12-4-13-8)3-6(9(16)17)14(7)11/h4,6H,1-3H2,(H,12,13)(H,16,17)(H,18,19)/t6-,11+/m0/s1

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InChIKey: LSPVHHUGRPIBDR-UPONEAKYSA-N

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Source

Properties Information

Molecule Weight: 265.225

TPSA: 123.59

MolLogP: -0.6786999999999999

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information