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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1615355
CHEMBL1615355
Compound Name
ChEMBL Synonyms Hypoglycin-A
Max Phase 0
Trade Names
Molecular Formula C7H11NO2

Additional synonyms for CHEMBL1615355 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H](C[C@H]1CC1=C)C(=O)O
Standard InChI InChI=1S/C7H11NO2/c1-4-2-5(4)3-6(8)7(9)10/h5-6H,1-3,8H2,(H,9 ...
Download InChI
Standard InChI Key OOJZCXFXPZGUBJ-RITPCOANSA-N

Structural Alerts

There are 3 structural alerts for CHEMBL1615355. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1615355

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
141.2 141.079 -2.25 3 63.31 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
2.26 9.52 .41 -2.1 0 10 0.44

Compound Cross References

ChemSpider ChemSpider:OOJZCXFXPZGUBJ-RITPCOANSA-N
Wikipedia Hypoglycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1615355



eMolecules 36753520
FDA SRS 7GB7U7M282
IBM Patent System 583A2FAF575F6A2145DE68523A6CB9FD
Nikkaji J85.271F
PubChem 11768666 40468186
PubChem: Thomson Pharma 16877080
SureChEMBL SCHEMBL476273
ZINC ZINC03876008

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