potassium 4-hydroxy-2-oxopentanoate

C5H7KO4 — CID 169441902

IUPACpotassium 4-hydroxy-2-oxopentanoate
SMILESCC(O)CC(=O)C(=O)[O-].[K+]
InChIInChI=1S/C5H8O4.K/c1-3(6)2-4(7)5(8)9;/h3,6H,2H2,1H3,(H,8,9);/q;+1/p-1
InChIKeyUMKYHQKUABCGNK-UHFFFAOYSA-M
MW170.20 g/mol
LogP-4.92
Rot. Bonds3

About potassium 4-hydroxy-2-oxopentanoate

potassium 4-hydroxy-2-oxopentanoate (PubChem CID 169441902) has the molecular formula C5H7KO4 and a molecular weight of 170.20 g/mol. Its IUPAC name is potassium 4-hydroxy-2-oxopentanoate.

Molecular Properties

Compound Namepotassium 4-hydroxy-2-oxopentanoate
PubChem CID169441902
Molecular FormulaC5H7KO4
Molecular Weight170.20 g/mol
Exact Mass170.00
IUPAC Namepotassium 4-hydroxy-2-oxopentanoate
SMILESCC(O)CC(=O)C(=O)[O-].[K+]
InChIInChI=1S/C5H8O4.K/c1-3(6)2-4(7)5(8)9;/h3,6H,2H2,1H3,(H,8,9);/q;+1/p-1
InChIKeyUMKYHQKUABCGNK-UHFFFAOYSA-M
XLogP-4.92
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 5-4.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium (3R)-3-hydroxybutanoate
CID 23704427
(Z)-2,3-bis(2-hydroxypropyl)but-2-enedioate
CID 22903088
calcium 4-methyl-2-oxopentanoate
CID 3016698
disodium bis(3-hydroxybutanoate)
CID 140970617
potassium 3-hydroxy-N-oxidobutanamide
CID 130127613
formic acid;4-hydroxy-2-oxopentanoic acid
CID 159880121
potassium 2-hydroxypropanoate
CID 23671663
CID 90459779
CID 90459779
2-hydroxypropylazanium acetate
CID 22134549
5-hydroxy-2-methylhexan-3-one
CID 536853
potassium;2-hydroxypropanoate;zirconium
CID 87220091
potassium;zinc;tris(2-hydroxypropanoate)
CID 86746346

Frequently Asked Questions

What is the IUPAC name of potassium 4-hydroxy-2-oxopentanoate?
The IUPAC name of potassium 4-hydroxy-2-oxopentanoate (CID 169441902) is potassium 4-hydroxy-2-oxopentanoate.
What is the SMILES notation for potassium 4-hydroxy-2-oxopentanoate?
The canonical SMILES for potassium 4-hydroxy-2-oxopentanoate is CC(O)CC(=O)C(=O)[O-].[K+].
What is the InChIKey of potassium 4-hydroxy-2-oxopentanoate?
The InChIKey is UMKYHQKUABCGNK-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8O4.K/c1-3(6)2-4(7)5(8)9;/h3,6H,2H2,1H3,(H,8,9);/q;+1/p-1.
What are the key properties of potassium 4-hydroxy-2-oxopentanoate?
potassium 4-hydroxy-2-oxopentanoate has a molecular weight of 170.20 g/mol, XLogP of -4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-hydroxy-2-oxopentanoate is sourced from PubChem (CID 169441902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).