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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2110239
CHEMBL2110239
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H20N2O3

Additional synonyms for CHEMBL2110239 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C[C@@H](C)NC(=O)[C@@H](N)CC(=O)O
Standard InChI InChI=1S/C10H20N2O3/c1-6(2)4-7(3)12-10(15)8(11)5-9(13)14/h6- ...
Download InChI
Standard InChI Key GGSSXKYFUPFZKV-SFYZADRCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2110239

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
216.3 216.1474 0.34 6 92.42 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.76 8.26 1.21 -1.39 0 15 0.6

Structural Alerts

There are 1 structural alerts for CHEMBL2110239. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GGSSXKYFUPFZKV-SFYZADRCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2110239



PubChem 70693561

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