Molecular Identity
Butyric Acid
butanoic acid
PubChem CID: 264
Butyric acid is a straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group. It has a role as a Mycoplasma genitalium metabolite and a human urinary metabolite. It is a fatty acid 4:0 and a straight-chain saturated fatty acid. It is a conjugate acid of a butyrate.
2D Structure
Properties
C4H8O2
Molecular Formula
88.11
Molecular Weight
g/mol
88.0524
Exact Mass
Da
0.8
XLogP
Drug-like (Lipinski: < 5)
37.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
49
Complexity
SMILES
Canonical SMILES
SMILES: CCCC(=O)OIsomeric SMILES
SMILES: CCCC(=O)OSynonyms(20)
butyric acidbutanoic acid107-92-6n-Butyric acidn-Butanoic acidpropylformic acidethylacetic acid1-propanecarboxylic acidButanic acid1-Butyric acidButtersaeureKyselina maselnaFEMA No. 2221Propanecarboxylic acid1-butanoic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Butyric Acid
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