(diacetyloxyamino) acetate;iron

C6H9FeNO6 — CID 174751012

IUPAC(diacetyloxyamino) acetate;iron
SMILESCC(=O)ON(OC(C)=O)OC(C)=O.[Fe]
InChIInChI=1S/C6H9NO6.Fe/c1-4(8)11-7(12-5(2)9)13-6(3)10;/h1-3H3;
InChIKeyCGQGHYMTVJBSLR-UHFFFAOYSA-N
MW246.98 g/mol
LogP-0.28
Rot. Bonds3

About (diacetyloxyamino) acetate;iron

(diacetyloxyamino) acetate;iron (PubChem CID 174751012) has the molecular formula C6H9FeNO6 and a molecular weight of 246.98 g/mol. Its IUPAC name is (diacetyloxyamino) acetate;iron.

Molecular Properties

Compound Name(diacetyloxyamino) acetate;iron
PubChem CID174751012
Molecular FormulaC6H9FeNO6
Molecular Weight246.98 g/mol
Exact Mass246.98
IUPAC Name(diacetyloxyamino) acetate;iron
SMILESCC(=O)ON(OC(C)=O)OC(C)=O.[Fe]
InChIInChI=1S/C6H9NO6.Fe/c1-4(8)11-7(12-5(2)9)13-6(3)10;/h1-3H3;
InChIKeyCGQGHYMTVJBSLR-UHFFFAOYSA-N
XLogP-0.28
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.98
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 159425404
CID 159425404
alumane;(dihydroxyamino) acetate
CID 174458216
acetyloxy(hydroxy)carbamic acid
CID 154281940
[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane
CID 173013590
[bis(1-hydroxyethyl)amino] acetate
CID 57208315
[amino-(diacetyloxyamino)amino] acetate
CID 175234338
magnesium;[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;hydride;pentahydrate
CID 175026838
methyl acetate;ruthenium
CID 160799101
(4-methoxy-N-(4-methoxyphenyl)anilino) acetate
CID 175095203
[2-fluoroethyl(methyl)amino] acetate
CID 87464450
[(2-chloroacetyl)-methylamino] acetate
CID 87814077
[diacetyloxy(hydroxy)silyl] acetate
CID 22770267

Frequently Asked Questions

What is the IUPAC name of (diacetyloxyamino) acetate;iron?
The IUPAC name of (diacetyloxyamino) acetate;iron (CID 174751012) is (diacetyloxyamino) acetate;iron.
What is the SMILES notation for (diacetyloxyamino) acetate;iron?
The canonical SMILES for (diacetyloxyamino) acetate;iron is CC(=O)ON(OC(C)=O)OC(C)=O.[Fe].
What is the InChIKey of (diacetyloxyamino) acetate;iron?
The InChIKey is CGQGHYMTVJBSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO6.Fe/c1-4(8)11-7(12-5(2)9)13-6(3)10;/h1-3H3;.
What are the key properties of (diacetyloxyamino) acetate;iron?
(diacetyloxyamino) acetate;iron has a molecular weight of 246.98 g/mol, XLogP of -0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (diacetyloxyamino) acetate;iron is sourced from PubChem (CID 174751012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).