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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL274086
CHEMBL274086
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H19NO3

Additional synonyms for CHEMBL274086 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C=C(/NC(=O)C1C(C)(C)C1(C)C)\C(=O)O
Standard InChI InChI=1S/C12H19NO3/c1-6-7(10(15)16)13-9(14)8-11(2,3)12(8,4)5 ...
Download InChI
Standard InChI Key ZNWXIJDWOMCHRG-SREVYHEPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL274086

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
225.3 225.1365 1.77 3 66.4 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.16 - 1.26 -1.93 0 16 0.72

Structural Alerts

There are 3 structural alerts for CHEMBL274086. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZNWXIJDWOMCHRG-SREVYHEPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL274086



PubChem 44267532
ZINC ZINC000026024143

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