potassium;sodium;2-ethylpropanedioic acid;hydride

C5H10KNaO4 — CID 174967911

IUPACpotassium;sodium;2-ethylpropanedioic acid;hydride
SMILESCCC(C(=O)O)C(=O)O.[H-].[H-].[K+].[Na+]
InChIInChI=1S/C5H8O4.K.Na.2H/c1-2-3(4(6)7)5(8)9;;;;/h3H,2H2,1H3,(H,6,7)(H,8,9);;;;/q;2*+1;2*-1
InChIKeyZPAPQHJKRNHDPX-UHFFFAOYSA-N
MW196.22 g/mol
LogP-5.59
Rot. Bonds3

About potassium;sodium;2-ethylpropanedioic acid;hydride

potassium;sodium;2-ethylpropanedioic acid;hydride (PubChem CID 174967911) has the molecular formula C5H10KNaO4 and a molecular weight of 196.22 g/mol. Its IUPAC name is potassium;sodium;2-ethylpropanedioic acid;hydride.

Molecular Properties

Compound Namepotassium;sodium;2-ethylpropanedioic acid;hydride
PubChem CID174967911
Molecular FormulaC5H10KNaO4
Molecular Weight196.22 g/mol
Exact Mass196.01
IUPAC Namepotassium;sodium;2-ethylpropanedioic acid;hydride
SMILESCCC(C(=O)O)C(=O)O.[H-].[H-].[K+].[Na+]
InChIInChI=1S/C5H8O4.K.Na.2H/c1-2-3(4(6)7)5(8)9;;;;/h3H,2H2,1H3,(H,6,7)(H,8,9);;;;/q;2*+1;2*-1
InChIKeyZPAPQHJKRNHDPX-UHFFFAOYSA-N
XLogP-5.59
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 5-5.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-ethylpropanedioic acid;propane-1,2,3-triol
CID 174817695
2-ethylpropanedioic acid;tetrapropylazanium
CID 87067032
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butanoic acid;2-ethyl-3-oxohexanoic acid
CID 175007474
(2S)-2-ethyl-3-oxohexanoic acid
CID 92975200
dimethylphosphane;2-ethyl-3-oxobutanoic acid
CID 174298040
magnesium;bis(2-ethylbutanoic acid);hydride
CID 174895693
2-ethyl-3-oxobutanoic acid;tris(propan-2-ol);zirconium
CID 87420924
chromium;2-ethyl-3-oxohexanoic acid
CID 172761906
2-ethyl-4-(hydroxyamino)-3,4-dioxobutanoic acid
CID 54412439
2,3-diaminopentanoic acid
CID 22719142
CID 87086045
CID 87086045

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;2-ethylpropanedioic acid;hydride?
The IUPAC name of potassium;sodium;2-ethylpropanedioic acid;hydride (CID 174967911) is potassium;sodium;2-ethylpropanedioic acid;hydride.
What is the SMILES notation for potassium;sodium;2-ethylpropanedioic acid;hydride?
The canonical SMILES for potassium;sodium;2-ethylpropanedioic acid;hydride is CCC(C(=O)O)C(=O)O.[H-].[H-].[K+].[Na+].
What is the InChIKey of potassium;sodium;2-ethylpropanedioic acid;hydride?
The InChIKey is ZPAPQHJKRNHDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4.K.Na.2H/c1-2-3(4(6)7)5(8)9;;;;/h3H,2H2,1H3,(H,6,7)(H,8,9);;;;/q;2*+1;2*-1.
What are the key properties of potassium;sodium;2-ethylpropanedioic acid;hydride?
potassium;sodium;2-ethylpropanedioic acid;hydride has a molecular weight of 196.22 g/mol, XLogP of -5.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;2-ethylpropanedioic acid;hydride is sourced from PubChem (CID 174967911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).