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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL230115
CHEMBL230115
Compound Name
ChEMBL Synonyms (1S,2R)-2-(Aminomethyl)Cyclopropanecarboxylic Acid
Max Phase 0
Trade Names
Molecular Formula C5H9NO2

Additional synonyms for CHEMBL230115 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC[C@@H]1C[C@@H]1C(=O)O
Standard InChI InChI=1S/C5H9NO2/c6-2-3-1-4(3)5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3 ...
Download InChI
Standard InChI Key QUFMERRXRMSAPZ-IMJSIDKUSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL230115

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
115.1 115.0633 -3.12 2 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
4.16 10.36 -.72 -3.22 0 8 0.4

Structural Alerts

There are no structural alerts for CHEMBL230115

Compound Cross References

ChemSpider ChemSpider:QUFMERRXRMSAPZ-IMJSIDKUSA-N
Wikipedia (%2B)-cis-2-Aminomethylcyclopropane_carboxylic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL230115



BindingDB 50241194
IBM Patent System 74689ADF4B1538DB58418FC452C45278
Nikkaji J523.718A
PubChem 40478972 1502041
PubChem: Thomson Pharma 15412756
SureChEMBL SCHEMBL340609
ZINC ZINC04202477

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