Molecular Identity
4-Hydroxybutyric Acid
4-hydroxybutanoic acid
PubChem CID: 10413
4-hydroxybutyric acid is a 4-hydroxy monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 is replaced by a hydroxy group. It has a role as a sedative, a general anaesthetic, a neurotoxin and a GHB receptor agonist. It is a hydroxybutyric acid and a 4-hydroxy monocarboxylic acid. It is functionally related to a butyric acid. It is a conjugate acid of a 4-hydroxybutyrate.
2D Structure
Properties
C4H8O3
Molecular Formula
104.10
Molecular Weight
g/mol
104.0473
Exact Mass
Da
-0.6
XLogP
Drug-like (Lipinski: < 5)
57.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
60
Complexity
SMILES
Canonical SMILES
SMILES: C(CC(=O)O)COIsomeric SMILES
SMILES: C(CC(=O)O)COSynonyms(20)
4-Hydroxybutanoic acid4-Hydroxybutyric acidgamma-Hydroxybutyric acid591-81-14-hydroxy-butyric acidAnetamin4-hydroxy-butanoic acidoxy-n-butyric acidButyric acid, 4-hydroxy-3-carboxypropoxy acid4-Hydroxyalkanoic acidgamma-Hydroxybutanoic acidDTXSID207474030IW36W5B2CHEBI:30830
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 4-Hydroxybutyric Acid
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