magnesium;[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;hydride;pentahydrate

C10H28MgN2O13 — CID 175026838

IUPACmagnesium;[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;hydride;pentahydrate
SMILESCC(=O)ON(CCN(OC(C)=O)OC(C)=O)OC(C)=O.O.O.O.O.O.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H16N2O8.Mg.5H2O.2H/c1-7(13)17-11(18-8(2)14)5-6-12(19-9(3)15)20-10(4)16;;;;;;;;/h5-6H2,1-4H3;;5*1H2;;/q;+2;;;;;;2*-1
InChIKeyHUAQUKKPUWUTDL-UHFFFAOYSA-N
MW408.64 g/mol
LogP-4.78
Rot. Bonds7

About magnesium;[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;hydride;pentahydrate

magnesium;[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;hydride;pentahydrate (PubChem CID 175026838) has the molecular formula C10H28MgN2O13 and a molecular weight of 408.64 g/mol. Its IUPAC name is magnesium;[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;hydride;pentahydrate.

Molecular Properties

Compound Namemagnesium;[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;hydride;pentahydrate
PubChem CID175026838
Molecular FormulaC10H28MgN2O13
Molecular Weight408.64 g/mol
Exact Mass408.14
IUPAC Namemagnesium;[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;hydride;pentahydrate
SMILESCC(=O)ON(CCN(OC(C)=O)OC(C)=O)OC(C)=O.O.O.O.O.O.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H16N2O8.Mg.5H2O.2H/c1-7(13)17-11(18-8(2)14)5-6-12(19-9(3)15)20-10(4)16;;;;;;;;/h5-6H2,1-4H3;;5*1H2;;/q;+2;;;;;;2*-1
InChIKeyHUAQUKKPUWUTDL-UHFFFAOYSA-N
XLogP-4.78
TPSA269.18 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.64
LogP ≤ 5-4.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane
CID 173013590
dimagnesium;acetyl acetate;hydride;tetrahydrate
CID 174549676
CID 159425404
CID 159425404
(diacetyloxyamino) acetate;iron
CID 174751012
[2-fluoroethyl(methyl)amino] acetate
CID 87464450
alumane;(dihydroxyamino) acetate
CID 174458216
sodium;2-[acetyloxy(2-hydroxyethyl)amino]acetic acid;hydride
CID 174559731
dimagnesium;acetic acid;hydride;tetrahydrate
CID 174549678
magnesium;acetic acid;hydride;dihydrate
CID 173154307
magnesium;amino acetate;hydride
CID 173289469
[methyl(tridecyl)amino] acetate
CID 87650867
acetyloxy(hydroxy)carbamic acid
CID 154281940

Frequently Asked Questions

What is the IUPAC name of magnesium;[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;hydride;pentahydrate?
The IUPAC name of magnesium;[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;hydride;pentahydrate (CID 175026838) is magnesium;[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;hydride;pentahydrate.
What is the SMILES notation for magnesium;[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;hydride;pentahydrate?
The canonical SMILES for magnesium;[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;hydride;pentahydrate is CC(=O)ON(CCN(OC(C)=O)OC(C)=O)OC(C)=O.O.O.O.O.O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;hydride;pentahydrate?
The InChIKey is HUAQUKKPUWUTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O8.Mg.5H2O.2H/c1-7(13)17-11(18-8(2)14)5-6-12(19-9(3)15)20-10(4)16;;;;;;;;/h5-6H2,1-4H3;;5*1H2;;/q;+2;;;;;;2*-1.
What are the key properties of magnesium;[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;hydride;pentahydrate?
magnesium;[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;hydride;pentahydrate has a molecular weight of 408.64 g/mol, XLogP of -4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;hydride;pentahydrate is sourced from PubChem (CID 175026838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).