magnesium 2-(2-oxidoethylamino)ethanolate

C4H9MgNO2 — CID 22956734

IUPACmagnesium 2-(2-oxidoethylamino)ethanolate
SMILES[Mg+2].[O-]CCNCC[O-]
InChIInChI=1S/C4H9NO2.Mg/c6-3-1-5-2-4-7;/h5H,1-4H2;/q-2;+2
InChIKeyQPDWNIRVXCHGTK-UHFFFAOYSA-N
MW127.43 g/mol
LogP-3.08
Rot. Bonds4

About magnesium 2-(2-oxidoethylamino)ethanolate

magnesium 2-(2-oxidoethylamino)ethanolate (PubChem CID 22956734) has the molecular formula C4H9MgNO2 and a molecular weight of 127.43 g/mol. Its IUPAC name is magnesium 2-(2-oxidoethylamino)ethanolate.

Molecular Properties

Compound Namemagnesium 2-(2-oxidoethylamino)ethanolate
PubChem CID22956734
Molecular FormulaC4H9MgNO2
Molecular Weight127.43 g/mol
Exact Mass127.05
IUPAC Namemagnesium 2-(2-oxidoethylamino)ethanolate
SMILES[Mg+2].[O-]CCNCC[O-]
InChIInChI=1S/C4H9NO2.Mg/c6-3-1-5-2-4-7;/h5H,1-4H2;/q-2;+2
InChIKeyQPDWNIRVXCHGTK-UHFFFAOYSA-N
XLogP-3.08
TPSA58.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.43
LogP ≤ 5-3.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium 2-(2-oxidoethylamino)ethanolate?
The IUPAC name of magnesium 2-(2-oxidoethylamino)ethanolate (CID 22956734) is magnesium 2-(2-oxidoethylamino)ethanolate.
What is the SMILES notation for magnesium 2-(2-oxidoethylamino)ethanolate?
The canonical SMILES for magnesium 2-(2-oxidoethylamino)ethanolate is [Mg+2].[O-]CCNCC[O-].
What is the InChIKey of magnesium 2-(2-oxidoethylamino)ethanolate?
The InChIKey is QPDWNIRVXCHGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.Mg/c6-3-1-5-2-4-7;/h5H,1-4H2;/q-2;+2.
What are the key properties of magnesium 2-(2-oxidoethylamino)ethanolate?
magnesium 2-(2-oxidoethylamino)ethanolate has a molecular weight of 127.43 g/mol, XLogP of -3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 2-(2-oxidoethylamino)ethanolate is sourced from PubChem (CID 22956734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).