magnesium 2-(carboxylatomethoxy)acetate

C4H4MgO5 — CID 158181125

IUPACmagnesium 2-(carboxylatomethoxy)acetate
SMILESO=C([O-])COCC(=O)[O-].[Mg+2]
InChIInChI=1S/C4H6O5.Mg/c5-3(6)1-9-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+2/p-2
InChIKeyFYPLFUASCAJOIR-UHFFFAOYSA-L
MW156.38 g/mol
LogP-3.88
Rot. Bonds4

About magnesium 2-(carboxylatomethoxy)acetate

magnesium 2-(carboxylatomethoxy)acetate (PubChem CID 158181125) has the molecular formula C4H4MgO5 and a molecular weight of 156.38 g/mol. Its IUPAC name is magnesium 2-(carboxylatomethoxy)acetate.

Molecular Properties

Compound Namemagnesium 2-(carboxylatomethoxy)acetate
PubChem CID158181125
Molecular FormulaC4H4MgO5
Molecular Weight156.38 g/mol
Exact Mass155.99
IUPAC Namemagnesium 2-(carboxylatomethoxy)acetate
SMILESO=C([O-])COCC(=O)[O-].[Mg+2]
InChIInChI=1S/C4H6O5.Mg/c5-3(6)1-9-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+2/p-2
InChIKeyFYPLFUASCAJOIR-UHFFFAOYSA-L
XLogP-3.88
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.38
LogP ≤ 5-3.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of magnesium 2-(carboxylatomethoxy)acetate?
The IUPAC name of magnesium 2-(carboxylatomethoxy)acetate (CID 158181125) is magnesium 2-(carboxylatomethoxy)acetate.
What is the SMILES notation for magnesium 2-(carboxylatomethoxy)acetate?
The canonical SMILES for magnesium 2-(carboxylatomethoxy)acetate is O=C([O-])COCC(=O)[O-].[Mg+2].
What is the InChIKey of magnesium 2-(carboxylatomethoxy)acetate?
The InChIKey is FYPLFUASCAJOIR-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O5.Mg/c5-3(6)1-9-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+2/p-2.
What are the key properties of magnesium 2-(carboxylatomethoxy)acetate?
magnesium 2-(carboxylatomethoxy)acetate has a molecular weight of 156.38 g/mol, XLogP of -3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 2-(carboxylatomethoxy)acetate is sourced from PubChem (CID 158181125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).