methyl 2-[3-(2-methoxy-2-oxoethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate

C10H13N3O7 — CID 176792942

IUPACmethyl 2-[3-(2-methoxy-2-oxoethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate
SMILESCOC(=O)Cn1c(=O)n(C)c(=O)n(CC(=O)OC)c1=O
InChIInChI=1S/C10H13N3O7/c1-11-8(16)12(4-6(14)19-2)10(18)13(9(11)17)5-7(15)20-3/h4-5H2,1-3H3
InChIKeyKFDRIODMNPNQLM-UHFFFAOYSA-N
MW287.23 g/mol
LogP-2.95
Rot. Bonds4

About methyl 2-[3-(2-methoxy-2-oxoethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate

methyl 2-[3-(2-methoxy-2-oxoethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate (PubChem CID 176792942) has the molecular formula C10H13N3O7 and a molecular weight of 287.23 g/mol. Its IUPAC name is methyl 2-[3-(2-methoxy-2-oxoethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-methoxy-2-oxoethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate
PubChem CID176792942
Molecular FormulaC10H13N3O7
Molecular Weight287.23 g/mol
Exact Mass287.08
IUPAC Namemethyl 2-[3-(2-methoxy-2-oxoethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate
SMILESCOC(=O)Cn1c(=O)n(C)c(=O)n(CC(=O)OC)c1=O
InChIInChI=1S/C10H13N3O7/c1-11-8(16)12(4-6(14)19-2)10(18)13(9(11)17)5-7(15)20-3/h4-5H2,1-3H3
InChIKeyKFDRIODMNPNQLM-UHFFFAOYSA-N
XLogP-2.95
TPSA118.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 5-2.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze methyl 2-[3-(2-methoxy-2-oxoethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-methoxy-2-oxoethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate?
The IUPAC name of methyl 2-[3-(2-methoxy-2-oxoethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate (CID 176792942) is methyl 2-[3-(2-methoxy-2-oxoethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(2-methoxy-2-oxoethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(2-methoxy-2-oxoethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate is COC(=O)Cn1c(=O)n(C)c(=O)n(CC(=O)OC)c1=O.
What is the InChIKey of methyl 2-[3-(2-methoxy-2-oxoethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate?
The InChIKey is KFDRIODMNPNQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O7/c1-11-8(16)12(4-6(14)19-2)10(18)13(9(11)17)5-7(15)20-3/h4-5H2,1-3H3.
What are the key properties of methyl 2-[3-(2-methoxy-2-oxoethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate?
methyl 2-[3-(2-methoxy-2-oxoethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate has a molecular weight of 287.23 g/mol, XLogP of -2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-methoxy-2-oxoethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate is sourced from PubChem (CID 176792942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).