2-(2,6-dioxo-1,3-oxazinan-3-yl)ethyl 3-methoxy-2-(methoxymethyl)-2-methylpropanoate

C13H21NO7 — CID 59779699

IUPAC2-(2,6-dioxo-1,3-oxazinan-3-yl)ethyl 3-methoxy-2-(methoxymethyl)-2-methylpropanoate
SMILESCOCC(C)(COC)C(=O)OCCN1CCC(=O)OC1=O
InChIInChI=1S/C13H21NO7/c1-13(8-18-2,9-19-3)11(16)20-7-6-14-5-4-10(15)21-12(14)17/h4-9H2,1-3H3
InChIKeyAKYGYQZUGIKBIU-UHFFFAOYSA-N
MW303.31 g/mol
LogP0.20
Rot. Bonds8

About 2-(2,6-dioxo-1,3-oxazinan-3-yl)ethyl 3-methoxy-2-(methoxymethyl)-2-methylpropanoate

2-(2,6-dioxo-1,3-oxazinan-3-yl)ethyl 3-methoxy-2-(methoxymethyl)-2-methylpropanoate (PubChem CID 59779699) has the molecular formula C13H21NO7 and a molecular weight of 303.31 g/mol. Its IUPAC name is 2-(2,6-dioxo-1,3-oxazinan-3-yl)ethyl 3-methoxy-2-(methoxymethyl)-2-methylpropanoate.

Molecular Properties

Compound Name2-(2,6-dioxo-1,3-oxazinan-3-yl)ethyl 3-methoxy-2-(methoxymethyl)-2-methylpropanoate
PubChem CID59779699
Molecular FormulaC13H21NO7
Molecular Weight303.31 g/mol
Exact Mass303.13
IUPAC Name2-(2,6-dioxo-1,3-oxazinan-3-yl)ethyl 3-methoxy-2-(methoxymethyl)-2-methylpropanoate
SMILESCOCC(C)(COC)C(=O)OCCN1CCC(=O)OC1=O
InChIInChI=1S/C13H21NO7/c1-13(8-18-2,9-19-3)11(16)20-7-6-14-5-4-10(15)21-12(14)17/h4-9H2,1-3H3
InChIKeyAKYGYQZUGIKBIU-UHFFFAOYSA-N
XLogP0.20
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxo-1,3-oxazinan-3-yl)ethyl 3-methoxy-2-(methoxymethyl)-2-methylpropanoate?
The IUPAC name of 2-(2,6-dioxo-1,3-oxazinan-3-yl)ethyl 3-methoxy-2-(methoxymethyl)-2-methylpropanoate (CID 59779699) is 2-(2,6-dioxo-1,3-oxazinan-3-yl)ethyl 3-methoxy-2-(methoxymethyl)-2-methylpropanoate.
What is the SMILES notation for 2-(2,6-dioxo-1,3-oxazinan-3-yl)ethyl 3-methoxy-2-(methoxymethyl)-2-methylpropanoate?
The canonical SMILES for 2-(2,6-dioxo-1,3-oxazinan-3-yl)ethyl 3-methoxy-2-(methoxymethyl)-2-methylpropanoate is COCC(C)(COC)C(=O)OCCN1CCC(=O)OC1=O.
What is the InChIKey of 2-(2,6-dioxo-1,3-oxazinan-3-yl)ethyl 3-methoxy-2-(methoxymethyl)-2-methylpropanoate?
The InChIKey is AKYGYQZUGIKBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO7/c1-13(8-18-2,9-19-3)11(16)20-7-6-14-5-4-10(15)21-12(14)17/h4-9H2,1-3H3.
What are the key properties of 2-(2,6-dioxo-1,3-oxazinan-3-yl)ethyl 3-methoxy-2-(methoxymethyl)-2-methylpropanoate?
2-(2,6-dioxo-1,3-oxazinan-3-yl)ethyl 3-methoxy-2-(methoxymethyl)-2-methylpropanoate has a molecular weight of 303.31 g/mol, XLogP of 0.20, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxo-1,3-oxazinan-3-yl)ethyl 3-methoxy-2-(methoxymethyl)-2-methylpropanoate is sourced from PubChem (CID 59779699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).