magnesium;2-hydroxyethyl(trimethyl)azanium;2-oxidobenzoate

C12H18MgNO4+ — CID 131698602

IUPACmagnesium;2-hydroxyethyl(trimethyl)azanium;2-oxidobenzoate
SMILESC[N+](C)(C)CCO.O=C([O-])c1ccccc1[O-].[Mg+2]
InChIInChI=1S/C7H6O3.C5H14NO.Mg/c8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7;/h1-4,8H,(H,9,10);7H,4-5H2,1-3H3;/q;+1;+2/p-2
InChIKeyBZYMCGIBACHYII-UHFFFAOYSA-L
MW264.58 g/mol
LogP-1.57
Rot. Bonds3

About magnesium;2-hydroxyethyl(trimethyl)azanium;2-oxidobenzoate

magnesium;2-hydroxyethyl(trimethyl)azanium;2-oxidobenzoate (PubChem CID 131698602) has the molecular formula C12H18MgNO4+ and a molecular weight of 264.58 g/mol. Its IUPAC name is magnesium;2-hydroxyethyl(trimethyl)azanium;2-oxidobenzoate.

Molecular Properties

Compound Namemagnesium;2-hydroxyethyl(trimethyl)azanium;2-oxidobenzoate
PubChem CID131698602
Molecular FormulaC12H18MgNO4+
Molecular Weight264.58 g/mol
Exact Mass264.11
IUPAC Namemagnesium;2-hydroxyethyl(trimethyl)azanium;2-oxidobenzoate
SMILESC[N+](C)(C)CCO.O=C([O-])c1ccccc1[O-].[Mg+2]
InChIInChI=1S/C7H6O3.C5H14NO.Mg/c8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7;/h1-4,8H,(H,9,10);7H,4-5H2,1-3H3;/q;+1;+2/p-2
InChIKeyBZYMCGIBACHYII-UHFFFAOYSA-L
XLogP-1.57
TPSA83.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.58
LogP ≤ 5-1.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

magnesium;tris(2-carboxyphenolate);2-hydroxyethyl(trimethyl)azanium;tetrahydrate
CID 68944978
tris(2-carboxyphenolate);tris(2-hydroxyethyl(trimethyl)azanium)
CID 140907134
lithium;2-carboxyphenolate;hydride;2-hydroxyethyl(trimethyl)azanium
CID 173378230
2-carboxyphenolate;2-hydroxyethyl(trimethyl)azanium;sulfur dioxide
CID 70601958
lithium;2-carboxyphenolate;2-hydroxyethyl(trimethyl)azanium;sulfite
CID 54724027
2-hydroxybenzoic acid;2-hydroxyethyl(trimethyl)azanium;chloride
CID 174928429
bis(2-hydroxyethyl(trimethyl)azanium);carbonate
CID 11701720
trimagnesium;phthalate
CID 142758668
2-carboxy-4-(4-fluorophenyl)phenolate;2-hydroxyethyl(trimethyl)azanium
CID 68747995
2-carboxyphenolate;hexadecyl(trimethyl)azanium;hydrate
CID 139053931
carbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium
CID 173335741
2-carboxyphenolate;trimethyl(prop-2-enyl)azanium
CID 70450706

Frequently Asked Questions

What is the IUPAC name of magnesium;2-hydroxyethyl(trimethyl)azanium;2-oxidobenzoate?
The IUPAC name of magnesium;2-hydroxyethyl(trimethyl)azanium;2-oxidobenzoate (CID 131698602) is magnesium;2-hydroxyethyl(trimethyl)azanium;2-oxidobenzoate.
What is the SMILES notation for magnesium;2-hydroxyethyl(trimethyl)azanium;2-oxidobenzoate?
The canonical SMILES for magnesium;2-hydroxyethyl(trimethyl)azanium;2-oxidobenzoate is C[N+](C)(C)CCO.O=C([O-])c1ccccc1[O-].[Mg+2].
What is the InChIKey of magnesium;2-hydroxyethyl(trimethyl)azanium;2-oxidobenzoate?
The InChIKey is BZYMCGIBACHYII-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H6O3.C5H14NO.Mg/c8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7;/h1-4,8H,(H,9,10);7H,4-5H2,1-3H3;/q;+1;+2/p-2.
What are the key properties of magnesium;2-hydroxyethyl(trimethyl)azanium;2-oxidobenzoate?
magnesium;2-hydroxyethyl(trimethyl)azanium;2-oxidobenzoate has a molecular weight of 264.58 g/mol, XLogP of -1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-hydroxyethyl(trimethyl)azanium;2-oxidobenzoate is sourced from PubChem (CID 131698602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).