ethyl 2-(2,4,6-trioxo-1,3,5-triazinan-1-yl)acetate

C7H9N3O5 — CID 140973153

IUPACethyl 2-(2,4,6-trioxo-1,3,5-triazinan-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O5/c1-2-15-4(11)3-10-6(13)8-5(12)9-7(10)14/h2-3H2,1H3,(H2,8,9,12,13,14)
InChIKeyATSUXHBPUUJMQC-UHFFFAOYSA-N
MW215.16 g/mol
LogP-2.21
Rot. Bonds3

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

ethyl 2-(2,4,6-trioxo-1,3,5-triazinan-1-yl)acetate (PubChem CID 140973153) has the molecular formula C7H9N3O5 and a molecular weight of 215.16 g/mol. Its IUPAC name is ethyl 2-(2,4,6-trioxo-1,3,5-triazinan-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4,6-trioxo-1,3,5-triazinan-1-yl)acetate
PubChem CID140973153
Molecular FormulaC7H9N3O5
Molecular Weight215.16 g/mol
Exact Mass215.05
IUPAC Nameethyl 2-(2,4,6-trioxo-1,3,5-triazinan-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O5/c1-2-15-4(11)3-10-6(13)8-5(12)9-7(10)14/h2-3H2,1H3,(H2,8,9,12,13,14)
InChIKeyATSUXHBPUUJMQC-UHFFFAOYSA-N
XLogP-2.21
TPSA114.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 5-2.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tri(ethane-2,1-diyl) triacetate
CID 21535324
Ethyl 2-(dimethylcarbamoylamino)acetate
CID 350289
Ethyl 2-[3,5-bis(2-ethoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate
CID 14956737
Ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate
CID 15129117
Ethyl 2-[methyl(morpholine-4-carbonyl)amino]acetate
CID 10014074
Ethyl 2-[formylcarbamoyl(sulfanyl)amino]acetate
CID 90816908
Ethyl N-[4-(2-ethoxy-2-oxoethyl)piperazine-1-carbonyl]glycinate
CID 235804
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
N-(morpholinomethylcarbamyl)glycine
CID 21537633

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4,6-trioxo-1,3,5-triazinan-1-yl)acetate?
The IUPAC name of ethyl 2-(2,4,6-trioxo-1,3,5-triazinan-1-yl)acetate (CID 140973153) is ethyl 2-(2,4,6-trioxo-1,3,5-triazinan-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2,4,6-trioxo-1,3,5-triazinan-1-yl)acetate?
The canonical SMILES for ethyl 2-(2,4,6-trioxo-1,3,5-triazinan-1-yl)acetate is CCOC(=O)Cn1c(=O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of ethyl 2-(2,4,6-trioxo-1,3,5-triazinan-1-yl)acetate?
The InChIKey is ATSUXHBPUUJMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O5/c1-2-15-4(11)3-10-6(13)8-5(12)9-7(10)14/h2-3H2,1H3,(H2,8,9,12,13,14).
What are the key properties of ethyl 2-(2,4,6-trioxo-1,3,5-triazinan-1-yl)acetate?
ethyl 2-(2,4,6-trioxo-1,3,5-triazinan-1-yl)acetate has a molecular weight of 215.16 g/mol, XLogP of -2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4,6-trioxo-1,3,5-triazinan-1-yl)acetate is sourced from PubChem (CID 140973153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).