sodium;hydride;4-methyl-2-oxopentanoic acid

C6H11NaO3 — CID 173063393

IUPACsodium;hydride;4-methyl-2-oxopentanoic acid
SMILESCC(C)CC(=O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C6H10O3.Na.H/c1-4(2)3-5(7)6(8)9;;/h4H,3H2,1-2H3,(H,8,9);;/q;+1;-1
InChIKeyKSFHXLOYTFLDRW-UHFFFAOYSA-N
MW154.14 g/mol
LogP-2.20
Rot. Bonds3

About sodium;hydride;4-methyl-2-oxopentanoic acid

sodium;hydride;4-methyl-2-oxopentanoic acid (PubChem CID 173063393) has the molecular formula C6H11NaO3 and a molecular weight of 154.14 g/mol. Its IUPAC name is sodium;hydride;4-methyl-2-oxopentanoic acid.

Molecular Properties

Compound Namesodium;hydride;4-methyl-2-oxopentanoic acid
PubChem CID173063393
Molecular FormulaC6H11NaO3
Molecular Weight154.14 g/mol
Exact Mass154.06
IUPAC Namesodium;hydride;4-methyl-2-oxopentanoic acid
SMILESCC(C)CC(=O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C6H10O3.Na.H/c1-4(2)3-5(7)6(8)9;;/h4H,3H2,1-2H3,(H,8,9);;/q;+1;-1
InChIKeyKSFHXLOYTFLDRW-UHFFFAOYSA-N
XLogP-2.20
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 5-2.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-oxopentanoic acid;2-oxopentanoic acid
CID 159940817
2,8-dimethylnonane-4,5,6-trione
CID 141143930
2-aminoethanesulfonic acid;4-methyl-2-oxopentanoic acid
CID 87718280
2-oxo-4-sulfanylpentanoic acid
CID 88696921
(4R,5R)-4,5-dihydroxy-2-oxohexanoic acid
CID 5459929
3-methylbutanoic acid
CID 20849036
2-(3-methylbutyl)-4-oxopentanedioic acid
CID 11615539
calcium 4-methyl-2-oxopentanoate
CID 3016698
CID 87948469
CID 87948469
argon;3-methylbutanoic acid
CID 158006921
formic acid;4-hydroxy-2-oxopentanoic acid
CID 159880121
5-methyl-2-methylidene-3-oxohexanoic acid;tris(prop-2-enoic acid)
CID 175437102

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-methyl-2-oxopentanoic acid?
The IUPAC name of sodium;hydride;4-methyl-2-oxopentanoic acid (CID 173063393) is sodium;hydride;4-methyl-2-oxopentanoic acid.
What is the SMILES notation for sodium;hydride;4-methyl-2-oxopentanoic acid?
The canonical SMILES for sodium;hydride;4-methyl-2-oxopentanoic acid is CC(C)CC(=O)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-methyl-2-oxopentanoic acid?
The InChIKey is KSFHXLOYTFLDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.Na.H/c1-4(2)3-5(7)6(8)9;;/h4H,3H2,1-2H3,(H,8,9);;/q;+1;-1.
What are the key properties of sodium;hydride;4-methyl-2-oxopentanoic acid?
sodium;hydride;4-methyl-2-oxopentanoic acid has a molecular weight of 154.14 g/mol, XLogP of -2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;4-methyl-2-oxopentanoic acid is sourced from PubChem (CID 173063393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).