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

C11H15N3O7 — CID 176792924

IUPACmethyl 2-[3-ethyl-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate
SMILESCCn1c(=O)n(CC(=O)OC)c(=O)n(CC(=O)OC)c1=O
InChIInChI=1S/C11H15N3O7/c1-4-12-9(17)13(5-7(15)20-2)11(19)14(10(12)18)6-8(16)21-3/h4-6H2,1-3H3
InChIKeyQPQLVPWTYCUCCP-UHFFFAOYSA-N
MW301.26 g/mol
LogP-2.46
Rot. Bonds5

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

methyl 2-[3-ethyl-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate (PubChem CID 176792924) has the molecular formula C11H15N3O7 and a molecular weight of 301.26 g/mol. Its IUPAC name is methyl 2-[3-ethyl-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-ethyl-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate
PubChem CID176792924
Molecular FormulaC11H15N3O7
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Namemethyl 2-[3-ethyl-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate
SMILESCCn1c(=O)n(CC(=O)OC)c(=O)n(CC(=O)OC)c1=O
InChIInChI=1S/C11H15N3O7/c1-4-12-9(17)13(5-7(15)20-2)11(19)14(10(12)18)6-8(16)21-3/h4-6H2,1-3H3
InChIKeyQPQLVPWTYCUCCP-UHFFFAOYSA-N
XLogP-2.46
TPSA118.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 5-2.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze methyl 2-[3-ethyl-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-ethyl-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate?
The IUPAC name of methyl 2-[3-ethyl-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate (CID 176792924) is methyl 2-[3-ethyl-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-ethyl-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate?
The canonical SMILES for methyl 2-[3-ethyl-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate is CCn1c(=O)n(CC(=O)OC)c(=O)n(CC(=O)OC)c1=O.
What is the InChIKey of methyl 2-[3-ethyl-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate?
The InChIKey is QPQLVPWTYCUCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O7/c1-4-12-9(17)13(5-7(15)20-2)11(19)14(10(12)18)6-8(16)21-3/h4-6H2,1-3H3.
What are the key properties of methyl 2-[3-ethyl-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate?
methyl 2-[3-ethyl-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate has a molecular weight of 301.26 g/mol, XLogP of -2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-ethyl-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate is sourced from PubChem (CID 176792924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).