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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1161508
CHEMBL1161508
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C5H7NO2

Additional synonyms for CHEMBL1161508 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C1CCC=N1
Standard InChI InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)
Standard InChI Key DWAKNKKXGALPNW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1161508

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
113.1 113.0477 0.3 1 49.66 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.35 7.66 -.69 -3.32 0 8 0.53

Structural Alerts

There are no structural alerts for CHEMBL1161508

Compound Cross References

ChemSpider ChemSpider:DWAKNKKXGALPNW-UHFFFAOYSA-N
Wikipedia 1-Pyrroline-5-carboxylic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1161508



ACToR 2906-39-0
Brenda 50210 10887 45501 1961
ChEBI 1372
EPA CompTox Dashboard DTXSID00863056
Human Metabolome Database HMDB0001301
IBM Patent System C35F2E8236410A3153418939D0F03148
KEGG Ligand C04322
Metabolights MTBLC1372
Nikkaji J426.575K
PubChem 1196
SureChEMBL SCHEMBL50356

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