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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL567588
CHEMBL567588
Compound Name 2-HYDROXYBUTYRIC ACID
ChEMBL Synonyms 2-Hydroxybutyric Acid | 2-Hydroxy-Butyric Acid Anion
Max Phase 0
Trade Names
Molecular Formula C4H8O3

Additional synonyms for CHEMBL567588 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(O)C(=O)O
Standard InChI InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
Standard InChI Key AFENDNXGAFYKQO-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL567588

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
104.1 104.0473 0.13 2 57.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.83 - -.34 -3.91 0 7 0.52

Structural Alerts

There are no structural alerts for CHEMBL567588

Compound Cross References

ChemSpider ChemSpider:AFENDNXGAFYKQO-UHFFFAOYSA-N
Wikipedia 2-Hydroxybutyric_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL567588



ACToR 600-15-7
ChEBI 1148
eMolecules 29541342
EPA CompTox Dashboard DTXSID8041903
Human Metabolome Database HMDB00008
IBM Patent System EA3BBC666D59CCC4254463A3A2588290
LipidMaps LMFA01050004
MolPort MolPort-004-288-401
Nikkaji J130.629D J2.433.029J
PubChem 11266
PubChem: Thomson Pharma 15412730
SureChEMBL SCHEMBL6963

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