potassium 2-methoxyacetate

C3H5KO3 — CID 23705439

IUPACpotassium 2-methoxyacetate
SMILESCOCC(=O)[O-].[K+]
InChIInChI=1S/C3H6O3.K/c1-6-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1
InChIKeyXDINAAOZYMDCBK-UHFFFAOYSA-M
MW128.17 g/mol
LogP-4.61
Rot. Bonds2

About potassium 2-methoxyacetate

potassium 2-methoxyacetate (PubChem CID 23705439) has the molecular formula C3H5KO3 and a molecular weight of 128.17 g/mol. Its IUPAC name is potassium 2-methoxyacetate.

Molecular Properties

Compound Namepotassium 2-methoxyacetate
PubChem CID23705439
Molecular FormulaC3H5KO3
Molecular Weight128.17 g/mol
Exact Mass127.99
IUPAC Namepotassium 2-methoxyacetate
SMILESCOCC(=O)[O-].[K+]
InChIInChI=1S/C3H6O3.K/c1-6-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1
InChIKeyXDINAAOZYMDCBK-UHFFFAOYSA-M
XLogP-4.61
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-4.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium 2-methoxyacetate?
The IUPAC name of potassium 2-methoxyacetate (CID 23705439) is potassium 2-methoxyacetate.
What is the SMILES notation for potassium 2-methoxyacetate?
The canonical SMILES for potassium 2-methoxyacetate is COCC(=O)[O-].[K+].
What is the InChIKey of potassium 2-methoxyacetate?
The InChIKey is XDINAAOZYMDCBK-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O3.K/c1-6-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1.
What are the key properties of potassium 2-methoxyacetate?
potassium 2-methoxyacetate has a molecular weight of 128.17 g/mol, XLogP of -4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-methoxyacetate is sourced from PubChem (CID 23705439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).