ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL295830
CHEMBL295830
Compound Name CYCLOLEUCINE
ChEMBL Synonyms 1-Amino-Cyclopentanecarboxylic Acid | 1-Aminocyclopentanecarboxylic Acid | Cycloleucine | 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

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
ChEBI 40547
DrugBank DB04620
eMolecules 476732
EPA CompTox Dashboard DTXSID5024475
FDA SRS 0TQU7668EI
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 ZINC00001234

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