Molecular Identity
Levulinic Acid
4-oxopentanoic acid
PubChem CID: 11579
4-oxopentanoic acid is an oxopentanoic acid with the oxo group in the 4-position. It has a role as a plant metabolite. It is an oxopentanoic acid and a straight-chain saturated fatty acid. It is a conjugate acid of a 4-oxopentanoate.
2D Structure
Properties
C5H8O3
Molecular Formula
116.11
Molecular Weight
g/mol
116.0473
Exact Mass
Da
-0.5
XLogP
Drug-like (Lipinski: < 5)
54.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
106
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)CCC(=O)OIsomeric SMILES
SMILES: CC(=O)CCC(=O)OSynonyms(20)
LEVULINIC ACID4-Oxopentanoic acid123-76-2Laevulinic acidPentanoic acid, 4-oxo-4-Oxovaleric acidLevulic acid4-Ketovaleric acidgamma-Ketovaleric acidLEVAAcetopropionic acidLevulinsaeureLaevulic acidbeta-Acetylpropionic acidAcidum laevulinicum
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Levulinic Acid
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