methyl 5-ethyl-4,6-dioxo-1,3,5-triazinane-2-carboxylate

C7H11N3O4 — CID 70331559

IUPACmethyl 5-ethyl-4,6-dioxo-1,3,5-triazinane-2-carboxylate
SMILESCCN1C(=O)NC(C(=O)OC)NC1=O
InChIInChI=1S/C7H11N3O4/c1-3-10-6(12)8-4(5(11)14-2)9-7(10)13/h4H,3H2,1-2H3,(H,8,12)(H,9,13)
InChIKeyHQNZXULUJGEJQM-UHFFFAOYSA-N
MW201.18 g/mol
LogP-0.76
Rot. Bonds2

About methyl 5-ethyl-4,6-dioxo-1,3,5-triazinane-2-carboxylate

methyl 5-ethyl-4,6-dioxo-1,3,5-triazinane-2-carboxylate (PubChem CID 70331559) has the molecular formula C7H11N3O4 and a molecular weight of 201.18 g/mol. Its IUPAC name is methyl 5-ethyl-4,6-dioxo-1,3,5-triazinane-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-4,6-dioxo-1,3,5-triazinane-2-carboxylate
PubChem CID70331559
Molecular FormulaC7H11N3O4
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Namemethyl 5-ethyl-4,6-dioxo-1,3,5-triazinane-2-carboxylate
SMILESCCN1C(=O)NC(C(=O)OC)NC1=O
InChIInChI=1S/C7H11N3O4/c1-3-10-6(12)8-4(5(11)14-2)9-7(10)13/h4H,3H2,1-2H3,(H,8,12)(H,9,13)
InChIKeyHQNZXULUJGEJQM-UHFFFAOYSA-N
XLogP-0.76
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate
CID 15129117
Methyl 2-[(2-methoxy-2-oxoethyl)carbamoylamino]acetate
CID 46197059
Methyl 2-[formylcarbamoyl(sulfanyl)amino]acetate
CID 91072870
Dihydrooxonate
CID 46926121
Methyl 2,2-bis(carbamoylamino)acetate
CID 10856268
Methyl 2-(methylcarbamoylamino)acetate
CID 13572154
Ethyl 2-acetamido-2-morpholin-4-ylacetate
CID 14860698
N-Morpholinocarbonyl-glycine
CID 18917961
2-(2,4,6-Trioxo-1,3,5-triazinan-1-yl)ethyl acetate
CID 20208909
N-(morpholinomethylcarbamyl)glycine
CID 21537633
2-(2,4,6-Trioxo-1,3,5-triazinan-1-yl)ethyl propanoate
CID 22165792
Methyl 2-(2,4,6-trioxo-1,3,5-triazinan-1-yl)acetate
CID 22902685

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-4,6-dioxo-1,3,5-triazinane-2-carboxylate?
The IUPAC name of methyl 5-ethyl-4,6-dioxo-1,3,5-triazinane-2-carboxylate (CID 70331559) is methyl 5-ethyl-4,6-dioxo-1,3,5-triazinane-2-carboxylate.
What is the SMILES notation for methyl 5-ethyl-4,6-dioxo-1,3,5-triazinane-2-carboxylate?
The canonical SMILES for methyl 5-ethyl-4,6-dioxo-1,3,5-triazinane-2-carboxylate is CCN1C(=O)NC(C(=O)OC)NC1=O.
What is the InChIKey of methyl 5-ethyl-4,6-dioxo-1,3,5-triazinane-2-carboxylate?
The InChIKey is HQNZXULUJGEJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4/c1-3-10-6(12)8-4(5(11)14-2)9-7(10)13/h4H,3H2,1-2H3,(H,8,12)(H,9,13).
What are the key properties of methyl 5-ethyl-4,6-dioxo-1,3,5-triazinane-2-carboxylate?
methyl 5-ethyl-4,6-dioxo-1,3,5-triazinane-2-carboxylate has a molecular weight of 201.18 g/mol, XLogP of -0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-4,6-dioxo-1,3,5-triazinane-2-carboxylate is sourced from PubChem (CID 70331559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).