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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL20962
CHEMBL20962
Compound Name
ChEMBL Synonyms 3-Ureido-Propionic Acid
Max Phase 0
Trade Names
Molecular Formula C4H8N2O3

Additional synonyms for CHEMBL20962 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)NCCC(=O)O
Standard InChI InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9 ...
Download InChI
Standard InChI Key JSJWCHRYRHKBBW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL20962

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
132.1 132.0535 -1.11 3 92.42 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.41 - -1.23 -4.3 0 9 0.45

Structural Alerts

There are 1 structural alerts for CHEMBL20962. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JSJWCHRYRHKBBW-UHFFFAOYSA-N
Wikipedia 3-Ureidopropionic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL20962



ACToR 462-88-4
Brenda 6707 26796 48310 124347 43891 69571 47565 1829
ChEBI 18261
eMolecules 533126
EPA CompTox Dashboard DTXSID60196771
Human Metabolome Database HMDB0000026
IBM Patent System 8C0EDB9D4859F1C0D06D72F17626950A
KEGG Ligand C02642
Mcule MCULE-3799706782
Metabolights MTBLC18261
MolPort MolPort-001-785-691
Nikkaji J39.569B
PDBe URP
PubChem 111
PubChem: Thomson Pharma 14747677
SureChEMBL SCHEMBL440563
ZINC ZINC000082071923

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