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

C11H15N3O7 — CID 15129117

IUPACethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate
SMILESCCOC(=O)Cn1c(=O)[nH]c(=O)n(CC(=O)OCC)c1=O
InChIInChI=1S/C11H15N3O7/c1-3-20-7(15)5-13-9(17)12-10(18)14(11(13)19)6-8(16)21-4-2/h3-6H2,1-2H3,(H,12,17,18)
InChIKeySSFHWTIGNJCZAA-UHFFFAOYSA-N
MW301.26 g/mol
LogP-2.18
Rot. Bonds6

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

ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate (PubChem CID 15129117) has the molecular formula C11H15N3O7 and a molecular weight of 301.26 g/mol. Its IUPAC name is ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate
PubChem CID15129117
Molecular FormulaC11H15N3O7
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Nameethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate
SMILESCCOC(=O)Cn1c(=O)[nH]c(=O)n(CC(=O)OCC)c1=O
InChIInChI=1S/C11H15N3O7/c1-3-20-7(15)5-13-9(17)12-10(18)14(11(13)19)6-8(16)21-4-2/h3-6H2,1-2H3,(H,12,17,18)
InChIKeySSFHWTIGNJCZAA-UHFFFAOYSA-N
XLogP-2.18
TPSA129.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 5-2.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

Diethyl 2,2'-[piperazine-1,4-diylbis(carbonylazanediyl)]diacetate
CID 44533096
Ethyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}acetate
CID 251730
(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tri(ethane-2,1-diyl) triacetate
CID 21535324
Ethyl 2-[3,5-bis(2-ethoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate
CID 14956737
Ethyl 2-[methyl(morpholine-4-carbonyl)amino]acetate
CID 10014074
Ethyl N-[4-(2-ethoxy-2-oxoethyl)piperazine-1-carbonyl]glycinate
CID 235804
N-(2-Ethoxy-2-oxoethyl)-4-methylpiperazine-1-carboximidic acid
CID 236647
Ethyl 2-(2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)acetate
CID 11053002
Ethyl 2-acetamido-2-morpholin-4-ylacetate
CID 14860698
N-Morpholinocarbonyl-glycine
CID 18917961
Ethyl 2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]acetate
CID 20092413
2-(2,4,6-Trioxo-1,3,5-triazinan-1-yl)ethyl acetate
CID 20208909

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate (CID 15129117) is ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate is CCOC(=O)Cn1c(=O)[nH]c(=O)n(CC(=O)OCC)c1=O.
What is the InChIKey of ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate?
The InChIKey is SSFHWTIGNJCZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O7/c1-3-20-7(15)5-13-9(17)12-10(18)14(11(13)19)6-8(16)21-4-2/h3-6H2,1-2H3,(H,12,17,18).
What are the key properties of ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate?
ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate has a molecular weight of 301.26 g/mol, XLogP of -2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate is sourced from PubChem (CID 15129117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).