methyl 2-[1,4-dioxane-2-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate

C11H17NO7 — CID 62952638

IUPACmethyl 2-[1,4-dioxane-2-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)C1COCCO1
InChIInChI=1S/C11H17NO7/c1-16-9(13)5-12(6-10(14)17-2)11(15)8-7-18-3-4-19-8/h8H,3-7H2,1-2H3
InChIKeyAKUMGBKPZHQPHA-UHFFFAOYSA-N
MW275.26 g/mol
LogP-1.42
Rot. Bonds5

About methyl 2-[1,4-dioxane-2-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[1,4-dioxane-2-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62952638) has the molecular formula C11H17NO7 and a molecular weight of 275.26 g/mol. Its IUPAC name is methyl 2-[1,4-dioxane-2-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[1,4-dioxane-2-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62952638
Molecular FormulaC11H17NO7
Molecular Weight275.26 g/mol
Exact Mass275.10
IUPAC Namemethyl 2-[1,4-dioxane-2-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)C1COCCO1
InChIInChI=1S/C11H17NO7/c1-16-9(13)5-12(6-10(14)17-2)11(15)8-7-18-3-4-19-8/h8H,3-7H2,1-2H3
InChIKeyAKUMGBKPZHQPHA-UHFFFAOYSA-N
XLogP-1.42
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-1.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate
CID 55151948
methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate
CID 103872780
methyl 2-[oxane-2-carbonyl(propyl)amino]acetate
CID 62213195
methyl 2-[oxolane-3-carbonyl(propyl)amino]acetate
CID 55208335
N-methoxy-1,4-dioxane-2-carboxamide
CID 60756146
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)-1,4-dioxane-2-carboxamide
CID 107492185
formic acid;methyl 1,4-dioxane-2-carboxylate
CID 143754061
2-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]acetic acid
CID 60825516
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,4-dioxane-2-carboxamide
CID 115760131
N-(2-aminoethyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide
CID 102874180
(2R)-2-(1,4-dioxane-2-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 114004692
methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate
CID 61009322

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1,4-dioxane-2-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[1,4-dioxane-2-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 62952638) is methyl 2-[1,4-dioxane-2-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[1,4-dioxane-2-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[1,4-dioxane-2-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)C1COCCO1.
What is the InChIKey of methyl 2-[1,4-dioxane-2-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is AKUMGBKPZHQPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO7/c1-16-9(13)5-12(6-10(14)17-2)11(15)8-7-18-3-4-19-8/h8H,3-7H2,1-2H3.
What are the key properties of methyl 2-[1,4-dioxane-2-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[1,4-dioxane-2-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 275.26 g/mol, XLogP of -1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1,4-dioxane-2-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62952638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).