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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL11869
CHEMBL11869
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H18N2O4

Additional synonyms for CHEMBL11869 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C=C(/NC(=O)CCCC(=O)N(C)C)\C(=O)O
Standard InChI InChI=1S/C11H18N2O4/c1-4-8(11(16)17)12-9(14)6-5-7-10(15)13(2 ...
Download InChI
Standard InChI Key DZOPSPGQOVHRCI-YWEYNIOJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL11869

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
242.3 242.1267 0.35 6 86.71 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.14 - -1.23 -4.45 0 17 0.66

Structural Alerts

There are 4 structural alerts for CHEMBL11869. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DZOPSPGQOVHRCI-YWEYNIOJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL11869



PubChem 44267539
ZINC ZINC000026025869

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