5-hydroxy-2-oxopentanoic acid

C5H8O4 — CID 23572080

IUPAC5-hydroxy-2-oxopentanoic acid
SMILESO=C(O)C(=O)CCCO
InChIInChI=1S/C5H8O4/c6-3-1-2-4(7)5(8)9/h6H,1-3H2,(H,8,9)
InChIKeyMMTYWJNSFWVPPS-UHFFFAOYSA-N
MW132.12 g/mol
LogP-0.59
Rot. Bonds4

About 5-hydroxy-2-oxopentanoic acid

5-hydroxy-2-oxopentanoic acid (PubChem CID 23572080) has the molecular formula C5H8O4 and a molecular weight of 132.12 g/mol. Its IUPAC name is 5-hydroxy-2-oxopentanoic acid.

Molecular Properties

Compound Name5-hydroxy-2-oxopentanoic acid
PubChem CID23572080
Molecular FormulaC5H8O4
Molecular Weight132.12 g/mol
Exact Mass132.04
IUPAC Name5-hydroxy-2-oxopentanoic acid
SMILESO=C(O)C(=O)CCCO
InChIInChI=1S/C5H8O4/c6-3-1-2-4(7)5(8)9/h6H,1-3H2,(H,8,9)
InChIKeyMMTYWJNSFWVPPS-UHFFFAOYSA-N
XLogP-0.59
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-2-oxobutanoic acid
CID 168875529
2-oxononadecanedioic acid
CID 19882771
2-oxotridecanedioic acid
CID 57104850
4-hydroxybutanoic acid;iron
CID 175070991
4-hydroxybutanoic acid;yttrium
CID 58261226
copper;2-oxohexanoic acid
CID 88811226
heptane-1,7-diol;oxalic acid
CID 175705321
2-oxotricosanoic acid
CID 5312932
2-oxoheptadecanoic acid
CID 5312901
8-amino-2-oxooctanoic acid
CID 87379118
sodium 4-hydroxy(1,2,3,4-13C4)butanoate
CID 139025091
alumane;2-oxononadecanoic acid
CID 174495213

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-oxopentanoic acid?
The IUPAC name of 5-hydroxy-2-oxopentanoic acid (CID 23572080) is 5-hydroxy-2-oxopentanoic acid.
What is the SMILES notation for 5-hydroxy-2-oxopentanoic acid?
The canonical SMILES for 5-hydroxy-2-oxopentanoic acid is O=C(O)C(=O)CCCO.
What is the InChIKey of 5-hydroxy-2-oxopentanoic acid?
The InChIKey is MMTYWJNSFWVPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c6-3-1-2-4(7)5(8)9/h6H,1-3H2,(H,8,9).
What are the key properties of 5-hydroxy-2-oxopentanoic acid?
5-hydroxy-2-oxopentanoic acid has a molecular weight of 132.12 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-oxopentanoic acid is sourced from PubChem (CID 23572080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).