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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

Structural Alerts

There are no structural alerts for CHEMBL567588

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

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
Human Metabolome Database HMDB00008
IBM Patent System EA3BBC666D59CCC4254463A3A2588290
IBM Patents US20030105062 EP0662314A1 EP0508792A1 US20040253313 US5665394 US20050214330 EP0973938B1 WO2008155391A2 US6497887 US6544547 EP0374531A2 US20090131566 EP2091502A1 EP0485723A1 US7169575 EP1524289A1 EP1532985A1 US5112914 EP1453490A1 WO1998056343A1 US20050014923 US20050287103 US20020054918 EP1277787A1 US4577038 US20080131819 EP1651214B1 WO2007110383A1 US20090075284 EP1382647A2 WO2005055947A2 EP0299789B1 EP1641524A1 US20050191328 WO1998007872A1 US7323039 US20080119584 EP0279164A2 EP2001994A2 US20050142093 EP1078068A2 WO2008152444A2 EP1587377A2 US5965618 US4268424 EP1269985B1 EP0771196A1 US5622657 WO1996019214A1 US6180753 US5338465 US6493211 US5904717 EP1024785A1 EP1651309A1 US20100331311 US6528071 US5389677 US5925782 US4960866 US7477939 EP0510449B1 US6585983 EP0725620B1 WO2001016093A1 US7605147 US5948418 US20060030511 US4219645 US6091002 US4609747 WO2001013865A1 WO2005066153A1 WO2006020137A2 EP1467965A1 US20040152042 US4595771 US20050080226 WO1994007132A1 EP1638526B8 EP1150645B1 EP0506191B1 US20050239804 WO2010000586A2 US6551759 US20050074421 US20040033572 EP1609820A1 US20060199966 EP1147108B1 EP2207819A1 US20070190000 WO2009098576A1 EP1955594A1 US7250442 US20100056647 WO2008015381A1 WO1996039128A1 EP1330233B1 US20090093440
MolPort MolPort-004-288-401
Nikkaji J130.629D
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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