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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1165239
CHEMBL1165239
Compound Name
ChEMBL Synonyms Azetidine-2-Carboxylic Acid
Max Phase 0
Trade Names
Molecular Formula C4H7NO2

Additional synonyms for CHEMBL1165239 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)[C@@H]1CCN1
Standard InChI InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0 ...
Download InChI
Standard InChI Key IADUEWIQBXOCDZ-VKHMYHEASA-N

Sources

  • Gene Expression Atlas Compounds
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1165239

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
101.1 101.0477 -3.42 1 49.33 ZWITTERION


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.35 10.7 -.44 -2.94 0 7 0.36

Structural Alerts

There are no structural alerts for CHEMBL1165239

Compound Cross References

ChemSpider ChemSpider:IADUEWIQBXOCDZ-VKHMYHEASA-N
PubChem SID: 50105741
Wikipedia Azetidine-2-carboxylic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1165239



ACToR 2133-34-8
Atlas L-azetidine-2-carboxylic acid
BindingDB 50357225
Brenda 8123 59236 44300 109079
ChEBI 6198
eMolecules 478426
EPA CompTox Dashboard DTXSID0044020
FDA SRS 5GZ3E0L9ZU
Guide to Pharmacology 4686
IBM Patent System C1318924A36A02FC32CC9D64D1E319B3
KEGG Ligand C08267
Metabolights MTBLC6198
MolPort MolPort-000-000-565
Nikkaji J35.234I
PDBe 02A
PubChem 11862171 16486
PubChem: Thomson Pharma 15194268
SureChEMBL SCHEMBL20296
ZINC ZINC000001698540

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