5-hydroxy-2,4-dioxopentanoic acid

C5H6O5 — CID 6326997

IUPAC5-hydroxy-2,4-dioxopentanoic acid
SMILESO=C(CO)CC(=O)C(=O)O
InChIInChI=1S/C5H6O5/c6-2-3(7)1-4(8)5(9)10/h6H,1-2H2,(H,9,10)
InChIKeyPHPQIPPBBQUFII-UHFFFAOYSA-N
MW146.10 g/mol
LogP-1.41
Rot. Bonds4

About 5-hydroxy-2,4-dioxopentanoic acid

5-hydroxy-2,4-dioxopentanoic acid (PubChem CID 6326997) has the molecular formula C5H6O5 and a molecular weight of 146.10 g/mol. Its IUPAC name is 5-hydroxy-2,4-dioxopentanoic acid.

Molecular Properties

Compound Name5-hydroxy-2,4-dioxopentanoic acid
PubChem CID6326997
Molecular FormulaC5H6O5
Molecular Weight146.10 g/mol
Exact Mass146.02
IUPAC Name5-hydroxy-2,4-dioxopentanoic acid
SMILESO=C(CO)CC(=O)C(=O)O
InChIInChI=1S/C5H6O5/c6-2-3(7)1-4(8)5(9)10/h6H,1-2H2,(H,9,10)
InChIKeyPHPQIPPBBQUFII-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': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2,4-dioxoheptanedioic acid
CID 54260347
CID 158744301
CID 158744301
2,4,8-trioxononanoic acid
CID 89306169
2,4-dioxoheptanoic acid
CID 23169167
titanium;2,4,6-trioxoheptanoic acid
CID 174769229
2,4-dioxodecanoic acid
CID 21475711
5-dimethylstannyl-2,4-dioxopentanoic acid
CID 173195756
azane;2-oxobutanedioic acid
CID 173216121
disodium bis(4-hydroxy-3,4-dioxobutanoate)
CID 133064842
2,4-dioxopentanoic acid;palladium
CID 87130936
2,4-dioxopentanoic acid;gadolinium
CID 87456221
2,4-dioxopentanoic acid;iridium
CID 87676479

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,4-dioxopentanoic acid?
The IUPAC name of 5-hydroxy-2,4-dioxopentanoic acid (CID 6326997) is 5-hydroxy-2,4-dioxopentanoic acid.
What is the SMILES notation for 5-hydroxy-2,4-dioxopentanoic acid?
The canonical SMILES for 5-hydroxy-2,4-dioxopentanoic acid is O=C(CO)CC(=O)C(=O)O.
What is the InChIKey of 5-hydroxy-2,4-dioxopentanoic acid?
The InChIKey is PHPQIPPBBQUFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O5/c6-2-3(7)1-4(8)5(9)10/h6H,1-2H2,(H,9,10).
What are the key properties of 5-hydroxy-2,4-dioxopentanoic acid?
5-hydroxy-2,4-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 5-hydroxy-2,4-dioxopentanoic acid is sourced from PubChem (CID 6326997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).