Chemical Component Summary

Name5-[2-(3-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Identifiers5-[2-(3-carboxyphenyl)ethyl]-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid
FormulaC14 H12 N2 O6
Molecular Weight304.255
TypeNON-POLYMER
Isomeric SMILESc1cc(cc(c1)C(=O)O)CCC2=C(NC(=O)NC2=O)C(=O)O
InChIInChI=1S/C14H12N2O6/c17-11-9(10(13(20)21)15-14(22)16-11)5-4-7-2-1-3-8(6-7)12(18)19/h1-3,6H,4-5H2,(H,18,19)(H,20,21)(H2,15,16,17,22)
InChIKeyNEPNOJKMVGCINS-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count35
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 73010374
ChEMBL CHEMBL3990355