methyl 2,6-dioxo-1,3-diazinane-4-carboxylate

C6H8N2O4 — CID 574666

IUPACmethyl 2,6-dioxo-1,3-diazinane-4-carboxylate
SMILESCOC(=O)C1CC(=O)NC(=O)N1
InChIInChI=1S/C6H8N2O4/c1-12-5(10)3-2-4(9)8-6(11)7-3/h3H,2H2,1H3,(H2,7,8,9,11)
InChIKeyLRRONAYCHITNSG-UHFFFAOYSA-N
MW172.14 g/mol
LogP-1.24
Rot. Bonds1

About methyl 2,6-dioxo-1,3-diazinane-4-carboxylate

methyl 2,6-dioxo-1,3-diazinane-4-carboxylate (PubChem CID 574666) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is methyl 2,6-dioxo-1,3-diazinane-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,6-dioxo-1,3-diazinane-4-carboxylate
PubChem CID574666
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Namemethyl 2,6-dioxo-1,3-diazinane-4-carboxylate
SMILESCOC(=O)C1CC(=O)NC(=O)N1
InChIInChI=1S/C6H8N2O4/c1-12-5(10)3-2-4(9)8-6(11)7-3/h3H,2H2,1H3,(H2,7,8,9,11)
InChIKeyLRRONAYCHITNSG-UHFFFAOYSA-N
XLogP-1.24
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,6-dioxo-1,3-diazinane-4-carboxylate?
The IUPAC name of methyl 2,6-dioxo-1,3-diazinane-4-carboxylate (CID 574666) is methyl 2,6-dioxo-1,3-diazinane-4-carboxylate.
What is the SMILES notation for methyl 2,6-dioxo-1,3-diazinane-4-carboxylate?
The canonical SMILES for methyl 2,6-dioxo-1,3-diazinane-4-carboxylate is COC(=O)C1CC(=O)NC(=O)N1.
What is the InChIKey of methyl 2,6-dioxo-1,3-diazinane-4-carboxylate?
The InChIKey is LRRONAYCHITNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c1-12-5(10)3-2-4(9)8-6(11)7-3/h3H,2H2,1H3,(H2,7,8,9,11).
What are the key properties of methyl 2,6-dioxo-1,3-diazinane-4-carboxylate?
methyl 2,6-dioxo-1,3-diazinane-4-carboxylate has a molecular weight of 172.14 g/mol, XLogP of -1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-dioxo-1,3-diazinane-4-carboxylate is sourced from PubChem (CID 574666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).