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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL90852
CHEMBL90852
Compound Name N-OXALYLGLYCINE
ChEMBL Synonyms N-Oxalylglycine | N-Carboxymethyl-Oxalamic Acid (Oxaloglycine)(0.5H2O)
Max Phase 0
Trade Names
Molecular Formula C4H5NO5

Additional synonyms for CHEMBL90852 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CNC(=O)C(=O)O
Standard InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H ...
Download InChI
Standard InChI Key BIMZLRFONYSTPT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL90852

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
147.1 147.0168 -1.37 3 103.69 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.83 - -1.23 -5.98 0 10 0.43

Structural Alerts

There are 8 structural alerts for CHEMBL90852. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BIMZLRFONYSTPT-UHFFFAOYSA-N
Wikipedia N-Oxalylglycine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL90852



ACToR 5262-39-5
BindingDB 26106
Brenda 74344 9586 8416 2304
ChEBI 44482
eMolecules 5759542
EPA CompTox Dashboard DTXSID20200601
FDA SRS VVW38EB8YS
IBM Patent System 67B0BD35FB9EF8D214F78B8379CB71E8
MolPort MolPort-000-141-021
Nikkaji J499.245H
PDBe OGA
PubChem 3080614
PubChem: Thomson Pharma 15041460
SureChEMBL SCHEMBL435820
ZINC ZINC000001534133

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/BIMZLRFONYSTPT-UHFFFAOYSA-N spacer
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