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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-Hydroxy-Butyric Acid Anion | 2-Hydroxybutyric Acid
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

Sources

  • Scientific Literature
  • TP-search Transporter Database

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
Brenda 15496 51630 66872 139616
ChEBI 1148
eMolecules 29541342
EPA CompTox Dashboard DTXSID8041903
Human Metabolome Database HMDB0000008
IBM Patent System EA3BBC666D59CCC4254463A3A2588290
LipidMaps LMFA01050004
Metabolights MTBLC1148
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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