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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL51979
CHEMBL51979
Compound Name
ChEMBL Synonyms N-Hydroxy-Succinamic Acid
Max Phase 0
Trade Names
Molecular Formula C4H7NO4

Additional synonyms for CHEMBL51979 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ONC(=O)CCC(=O)O
Standard InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
Standard InChI Key AGEUQNZXCIVHPB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL51979

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
133.1 133.0375 -0.98 3 86.63 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.29 - -.71 -2.87 0 9 0.34

Structural Alerts

There are 6 structural alerts for CHEMBL51979. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AGEUQNZXCIVHPB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL51979



ACToR 4743-99-1
BindingDB 50129197
Brenda 95070 13225
EPA CompTox Dashboard DTXSID20291236
IBM Patent System 1896BD4A85581C502810696203CC237A
Nikkaji J21.746H
PubChem 252439
PubChem: Thomson Pharma 15119964
SureChEMBL SCHEMBL240068

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