[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane

C10H28N6O8 — CID 173013590

IUPAC[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane
SMILESCC(=O)ON(CCN(OC(C)=O)OC(C)=O)OC(C)=O.N.N.N.N
InChIInChI=1S/C10H16N2O8.4H3N/c1-7(13)17-11(18-8(2)14)5-6-12(19-9(3)15)20-10(4)16;;;;/h5-6H2,1-4H3;4*1H3
InChIKeyFDBFZTHMAWZTRV-UHFFFAOYSA-N
MW360.37 g/mol
LogP0.15
Rot. Bonds7

About [acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane

[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane (PubChem CID 173013590) has the molecular formula C10H28N6O8 and a molecular weight of 360.37 g/mol. Its IUPAC name is [acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane.

Molecular Properties

Compound Name[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane
PubChem CID173013590
Molecular FormulaC10H28N6O8
Molecular Weight360.37 g/mol
Exact Mass360.20
IUPAC Name[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane
SMILESCC(=O)ON(CCN(OC(C)=O)OC(C)=O)OC(C)=O.N.N.N.N
InChIInChI=1S/C10H16N2O8.4H3N/c1-7(13)17-11(18-8(2)14)5-6-12(19-9(3)15)20-10(4)16;;;;/h5-6H2,1-4H3;4*1H3
InChIKeyFDBFZTHMAWZTRV-UHFFFAOYSA-N
XLogP0.15
TPSA251.68 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.37
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

magnesium;[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;hydride;pentahydrate
CID 175026838
(diacetyloxyamino) acetate;iron
CID 174751012
CID 159425404
CID 159425404
[2-fluoroethyl(methyl)amino] acetate
CID 87464450
[amino-(diacetyloxyamino)amino] acetate
CID 175234338
alumane;(dihydroxyamino) acetate
CID 174458216
[methyl(tridecyl)amino] acetate
CID 87650867
acetyloxy(hydroxy)carbamic acid
CID 154281940
acetyloxymethyl acetate;azane
CID 172795061
[(2-chloroacetyl)-methylamino] acetate
CID 87814077
[2-ethoxyethyl(ethyl)amino] acetate
CID 175476024
[bis(1-hydroxyethyl)amino] acetate
CID 57208315

Frequently Asked Questions

What is the IUPAC name of [acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane?
The IUPAC name of [acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane (CID 173013590) is [acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane.
What is the SMILES notation for [acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane?
The canonical SMILES for [acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane is CC(=O)ON(CCN(OC(C)=O)OC(C)=O)OC(C)=O.N.N.N.N.
What is the InChIKey of [acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane?
The InChIKey is FDBFZTHMAWZTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O8.4H3N/c1-7(13)17-11(18-8(2)14)5-6-12(19-9(3)15)20-10(4)16;;;;/h5-6H2,1-4H3;4*1H3.
What are the key properties of [acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane?
[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane has a molecular weight of 360.37 g/mol, XLogP of 0.15, 7 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane is sourced from PubChem (CID 173013590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).