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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL28328
CHEMBL28328
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H14N2O2

Additional synonyms for CHEMBL28328 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCCCC(N)C(=O)O
Standard InChI InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9, ...
Download InChI
Standard InChI Key KDXKERNSBIXSRK-UHFFFAOYSA-N

Structural Alerts

There are 3 structural alerts for CHEMBL28328. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL28328

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
146.2 146.1055 -3.24 5 89.33 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 4 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.49 10.64 -.73 -4.2 0 10 0.36

Compound Cross References

ChemSpider ChemSpider:KDXKERNSBIXSRK-UHFFFAOYSA-N
PubChem SID: 26757946
Wikipedia Lysine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL28328



ACToR 56-87-1 70-54-2
ChEBI 25094
eMolecules 524856
IBM Patent System DD35C410490A9111EEFC67568E4DDE3F
KEGG Ligand C16440
Mcule MCULE-6537319758
MolPort MolPort-001-779-975
Nikkaji J1.280G
NMRShiftDB 10016964
PubChem 866 5248709
PubChem: Thomson Pharma 15437346
SureChEMBL SCHEMBL1645

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