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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL190602
CHEMBL190602
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H19NO2

Additional synonyms for CHEMBL190602 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)[C@@H](C)[C@H](CN)CC(=O)O
Standard InChI InChI=1S/C9H19NO2/c1-6(2)7(3)8(5-10)4-9(11)12/h6-8H,4-5,10H2 ...
Download InChI
Standard InChI Key IASDTUBNBCYCJG-SFYZADRCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL190602

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
173.3 173.1416 -1.34 5 63.31 ZWITTERION


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.22 11.1 1.44 -1.06 0 12 0.54

Structural Alerts

There are 1 structural alerts for CHEMBL190602. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IASDTUBNBCYCJG-SFYZADRCSA-N
Wikipedia 4-Methylpregabalin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL190602



IBM Patent System CA4BC99496E93B95F9DDA9C2C312C2DD
PubChem 25832100 10197908
PubChem: Thomson Pharma 16899242 15195049
SureChEMBL SCHEMBL1914043

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