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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL32307
CHEMBL32307
Compound Name
ChEMBL Synonyms Cis-4-Aminocrotonic Acid
Max Phase 0
Trade Names
Molecular Formula C4H7NO2

Additional synonyms for CHEMBL32307 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC\C=C/C(=O)O
Standard InChI InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1-
Standard InChI Key FMKJUUQOYOHLTF-UPHRSURJSA-N

Structural Alerts

There are 3 structural alerts for CHEMBL32307. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL32307

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
101.1 101.0477 -2.96 2 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
2.55 10.25 -.67 -3.17 0 7 0.37

Compound Cross References

ChemSpider ChemSpider:FMKJUUQOYOHLTF-UPHRSURJSA-N
PubChem SID: 11110691 SID: 11110692 SID: 11113394 SID: 50105836 SID: 90341333
Wikipedia (Z)-4-Amino-2-butenoic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL32307



BindinDB 50087277
Guide to Pharmacology 4148
Nikkaji J566.978B
PubChem 60023011 6603697
PubChem: Thomson Pharma 15218749
SureChEMBL SCHEMBL339699

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