ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

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

Sources

  • PubChem BioAssays
  • Scientific Literature

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

Structural Alerts

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

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



Brenda 47951 21640 136355
ChEBI 64850
eMolecules 533124
IBM Patent System E7DE69B4202CF1A68C8929AC415CFDB2
Mcule MCULE-1014975815
Metabolights MTBLC64850
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
spacer