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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

Sources

  • PubChem BioAssays
  • Scientific Literature

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

Structural Alerts

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

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



BindingDB 50087277
Brenda 155458
Guide to Pharmacology 4148
Nikkaji J566.978B
PubChem 60023011 6603697
PubChem: Thomson Pharma 15218749
SureChEMBL SCHEMBL339699
ZINC ZINC000029227709

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