4-hydroxy-2,5-dioxopentanoic acid

C5H6O5 — CID 163405135

IUPAC4-hydroxy-2,5-dioxopentanoic acid
SMILESO=CC(O)CC(=O)C(=O)O
InChIInChI=1S/C5H6O5/c6-2-3(7)1-4(8)5(9)10/h2-3,7H,1H2,(H,9,10)
InChIKeyQZKCWTOLHHFWCD-UHFFFAOYSA-N
MW146.10 g/mol
LogP-1.41
Rot. Bonds4

About 4-hydroxy-2,5-dioxopentanoic acid

4-hydroxy-2,5-dioxopentanoic acid (PubChem CID 163405135) has the molecular formula C5H6O5 and a molecular weight of 146.10 g/mol. Its IUPAC name is 4-hydroxy-2,5-dioxopentanoic acid.

Molecular Properties

Compound Name4-hydroxy-2,5-dioxopentanoic acid
PubChem CID163405135
Molecular FormulaC5H6O5
Molecular Weight146.10 g/mol
Exact Mass146.02
IUPAC Name4-hydroxy-2,5-dioxopentanoic acid
SMILESO=CC(O)CC(=O)C(=O)O
InChIInChI=1S/C5H6O5/c6-2-3(7)1-4(8)5(9)10/h2-3,7H,1H2,(H,9,10)
InChIKeyQZKCWTOLHHFWCD-UHFFFAOYSA-N
XLogP-1.41
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

formic acid;4-hydroxy-2-oxopentanoic acid
CID 159880121
(4R,5R)-4,5-dihydroxy-2-oxohexanoic acid
CID 5459929
2-hydroxy-5-(hydroxyamino)-6-methyl-4-oxoheptanal
CID 22435997
2-hydroxy-4-phenylpent-4-enal
CID 134964349
(2S)-3-fluoro-2-hydroxypropanal
CID 130737258
formic acid;2-oxobutanoic acid
CID 121364705
acetaldehyde;2-oxobutanoic acid
CID 157461370
2,5-dioxopentanoic acid
CID 87139095
(4R,6R)-4,6,7-trihydroxy-2-oxoheptanoic acid
CID 131853402
sodium;hydride;4-methyl-2-oxopentanoic acid
CID 173063393
2-oxo-4-sulfanylpentanoic acid
CID 88696921
1,4-dioxobutane-1,2,4-tricarboxylic acid
CID 18332207

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,5-dioxopentanoic acid?
The IUPAC name of 4-hydroxy-2,5-dioxopentanoic acid (CID 163405135) is 4-hydroxy-2,5-dioxopentanoic acid.
What is the SMILES notation for 4-hydroxy-2,5-dioxopentanoic acid?
The canonical SMILES for 4-hydroxy-2,5-dioxopentanoic acid is O=CC(O)CC(=O)C(=O)O.
What is the InChIKey of 4-hydroxy-2,5-dioxopentanoic acid?
The InChIKey is QZKCWTOLHHFWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O5/c6-2-3(7)1-4(8)5(9)10/h2-3,7H,1H2,(H,9,10).
What are the key properties of 4-hydroxy-2,5-dioxopentanoic acid?
4-hydroxy-2,5-dioxopentanoic acid has a molecular weight of 146.10 g/mol, XLogP of -1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,5-dioxopentanoic acid is sourced from PubChem (CID 163405135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).