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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL295830
CHEMBL295830
Compound Name CYCLOLEUCINE
ChEMBL Synonyms 1-Aminocyclopentanecarboxylic Acid | Cycloleucine | 1-Amino-Cyclopentanecarboxylic Acid | Cycloleucine1-Amino-Cyclopentanecarboxylic Acid
Max Phase 0
Trade Names
Molecular Formula C6H11NO2

Additional synonyms for CHEMBL295830 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1(CCCC1)C(=O)O
Standard InChI InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)
Standard InChI Key NILQLFBWTXNUOE-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL295830

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
129.2 129.079 -2.17 1 63.32 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
2.38 10.03 .01 -2.49 0 9 0.42

Structural Alerts

There are 1 structural alerts for CHEMBL295830. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NILQLFBWTXNUOE-UHFFFAOYSA-N
PubChem SID: 67889
Wikipedia Cycloleucine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL295830



ACToR 15313-85-6 52-52-8
BindingDB 50070638
Brenda 8077 90469
ChEBI 40547
DrugBank DB04620
eMolecules 476732
EPA CompTox Dashboard DTXSID5024475
FDA SRS 0TQU7668EI
Human Metabolome Database HMDB0062225
IBM Patent System CDE99EAF0B0749B57847D5F25AD23922
KEGG Ligand C03969
Mcule MCULE-6366286422
MolPort MolPort-000-000-295
Nikkaji J4.131I
NMRShiftDB 20208302
PDBe AC5
PubChem 2901 6918961
PubChem: Thomson Pharma 15194490
SureChEMBL SCHEMBL8495
ZINC ZINC000000001234

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