potassium 4-(carboxymethoxy)-4-oxobutanoate

C6H7KO6 — CID 88795342

IUPACpotassium 4-(carboxymethoxy)-4-oxobutanoate
SMILESO=C([O-])CCC(=O)OCC(=O)O.[K+]
InChIInChI=1S/C6H8O6.K/c7-4(8)1-2-6(11)12-3-5(9)10;/h1-3H2,(H,7,8)(H,9,10);/q;+1/p-1
InChIKeyWYHZPVNLWBBKDE-UHFFFAOYSA-M
MW214.21 g/mol
LogP-4.85
Rot. Bonds5

About potassium 4-(carboxymethoxy)-4-oxobutanoate

potassium 4-(carboxymethoxy)-4-oxobutanoate (PubChem CID 88795342) has the molecular formula C6H7KO6 and a molecular weight of 214.21 g/mol. Its IUPAC name is potassium 4-(carboxymethoxy)-4-oxobutanoate.

Molecular Properties

Compound Namepotassium 4-(carboxymethoxy)-4-oxobutanoate
PubChem CID88795342
Molecular FormulaC6H7KO6
Molecular Weight214.21 g/mol
Exact Mass213.99
IUPAC Namepotassium 4-(carboxymethoxy)-4-oxobutanoate
SMILESO=C([O-])CCC(=O)OCC(=O)O.[K+]
InChIInChI=1S/C6H8O6.K/c7-4(8)1-2-6(11)12-3-5(9)10;/h1-3H2,(H,7,8)(H,9,10);/q;+1/p-1
InChIKeyWYHZPVNLWBBKDE-UHFFFAOYSA-M
XLogP-4.85
TPSA103.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 5-4.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

triazanium;tris(4-(carboxymethylperoxy)-4-oxobutanoate)
CID 160721493
dipotassium;butanedioate;butanedioic acid;hydrate
CID 174286675
calcium bis(4-hydroxy-4-oxobutanoate)
CID 88814404
pentakis(4-hydroxy-4-oxobutanoate);niobium(5+)
CID 161140385
potassium 4-oxo-4-undecoxybutanoate
CID 102118495
4-methoxy-4-oxobutanoate
CID 6930703
2-nonanoyloxyacetic acid
CID 19734907
2-undecanoyloxyacetic acid
CID 88767061
2-tetracosanoyloxyacetic acid
CID 88765616
silver 4-oxo-4-phenylmethoxybutanoate
CID 22480517
bis(butanedioate);osmium(4+)
CID 159559487
sodium 4-(2-carboxyethylperoxy)-4-oxobutanoate
CID 88775673

Frequently Asked Questions

What is the IUPAC name of potassium 4-(carboxymethoxy)-4-oxobutanoate?
The IUPAC name of potassium 4-(carboxymethoxy)-4-oxobutanoate (CID 88795342) is potassium 4-(carboxymethoxy)-4-oxobutanoate.
What is the SMILES notation for potassium 4-(carboxymethoxy)-4-oxobutanoate?
The canonical SMILES for potassium 4-(carboxymethoxy)-4-oxobutanoate is O=C([O-])CCC(=O)OCC(=O)O.[K+].
What is the InChIKey of potassium 4-(carboxymethoxy)-4-oxobutanoate?
The InChIKey is WYHZPVNLWBBKDE-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8O6.K/c7-4(8)1-2-6(11)12-3-5(9)10;/h1-3H2,(H,7,8)(H,9,10);/q;+1/p-1.
What are the key properties of potassium 4-(carboxymethoxy)-4-oxobutanoate?
potassium 4-(carboxymethoxy)-4-oxobutanoate has a molecular weight of 214.21 g/mol, XLogP of -4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-(carboxymethoxy)-4-oxobutanoate is sourced from PubChem (CID 88795342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).