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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1161506
CHEMBL1161506
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C5H8N2O5

Additional synonyms for CHEMBL1161506 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)NC(CC(=O)O)C(=O)O
Standard InChI InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9 ...
Download InChI
Standard InChI Key HLKXYZVTANABHZ-UHFFFAOYSA-N

Structural Alerts

There are 2 structural alerts for CHEMBL1161506. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1161506

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
176.1 176.0433 -1.49 4 129.72 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 0 7 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.65 - -.66 -5.4 0 12 0.41

Compound Cross References

ChemSpider ChemSpider:HLKXYZVTANABHZ-UHFFFAOYSA-N
PubChem SID: 78967
Wikipedia Carbamoyl_aspartic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1161506



ChEBI 64850
eMolecules 533124
IBM Patent System E7DE69B4202CF1A68C8929AC415CFDB2
Mcule MCULE-1014975815
MolPort MolPort-001-788-403
Nikkaji J2.382.250D
PubChem 279
PubChem: Thomson Pharma 15195089
SureChEMBL SCHEMBL163119

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