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

C11H15N3O8 — CID 176792949

IUPACmethyl 2-[3-(methoxymethyl)-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate
SMILESCOCn1c(=O)n(CC(=O)OC)c(=O)n(CC(=O)OC)c1=O
InChIInChI=1S/C11H15N3O8/c1-20-6-14-10(18)12(4-7(15)21-2)9(17)13(11(14)19)5-8(16)22-3/h4-6H2,1-3H3
InChIKeySUOVGFYYFYMATQ-UHFFFAOYSA-N
MW317.25 g/mol
LogP-2.88
Rot. Bonds6

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

methyl 2-[3-(methoxymethyl)-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate (PubChem CID 176792949) has the molecular formula C11H15N3O8 and a molecular weight of 317.25 g/mol. Its IUPAC name is methyl 2-[3-(methoxymethyl)-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(methoxymethyl)-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate
PubChem CID176792949
Molecular FormulaC11H15N3O8
Molecular Weight317.25 g/mol
Exact Mass317.09
IUPAC Namemethyl 2-[3-(methoxymethyl)-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate
SMILESCOCn1c(=O)n(CC(=O)OC)c(=O)n(CC(=O)OC)c1=O
InChIInChI=1S/C11H15N3O8/c1-20-6-14-10(18)12(4-7(15)21-2)9(17)13(11(14)19)5-8(16)22-3/h4-6H2,1-3H3
InChIKeySUOVGFYYFYMATQ-UHFFFAOYSA-N
XLogP-2.88
TPSA127.83 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.25
LogP ≤ 5-2.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(methoxymethyl)-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate?
The IUPAC name of methyl 2-[3-(methoxymethyl)-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate (CID 176792949) is methyl 2-[3-(methoxymethyl)-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(methoxymethyl)-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(methoxymethyl)-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate is COCn1c(=O)n(CC(=O)OC)c(=O)n(CC(=O)OC)c1=O.
What is the InChIKey of methyl 2-[3-(methoxymethyl)-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate?
The InChIKey is SUOVGFYYFYMATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O8/c1-20-6-14-10(18)12(4-7(15)21-2)9(17)13(11(14)19)5-8(16)22-3/h4-6H2,1-3H3.
What are the key properties of methyl 2-[3-(methoxymethyl)-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate?
methyl 2-[3-(methoxymethyl)-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate has a molecular weight of 317.25 g/mol, XLogP of -2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(methoxymethyl)-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate is sourced from PubChem (CID 176792949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).