ditert-butyl 2,5-dioxoimidazolidine-4,4-dicarboxylate

C13H20N2O6 — CID 22139635

IUPACditert-butyl 2,5-dioxoimidazolidine-4,4-dicarboxylate
SMILESCC(C)(C)OC(=O)C1(C(=O)OC(C)(C)C)NC(=O)NC1=O
InChIInChI=1S/C13H20N2O6/c1-11(2,3)20-8(17)13(7(16)14-10(19)15-13)9(18)21-12(4,5)6/h1-6H3,(H2,14,15,16,19)
InChIKeyHPPMDXOUISVKNA-UHFFFAOYSA-N
MW300.31 g/mol
LogP0.25
Rot. Bonds2

About ditert-butyl 2,5-dioxoimidazolidine-4,4-dicarboxylate

ditert-butyl 2,5-dioxoimidazolidine-4,4-dicarboxylate (PubChem CID 22139635) has the molecular formula C13H20N2O6 and a molecular weight of 300.31 g/mol. Its IUPAC name is ditert-butyl 2,5-dioxoimidazolidine-4,4-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl 2,5-dioxoimidazolidine-4,4-dicarboxylate
PubChem CID22139635
Molecular FormulaC13H20N2O6
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Nameditert-butyl 2,5-dioxoimidazolidine-4,4-dicarboxylate
SMILESCC(C)(C)OC(=O)C1(C(=O)OC(C)(C)C)NC(=O)NC1=O
InChIInChI=1S/C13H20N2O6/c1-11(2,3)20-8(17)13(7(16)14-10(19)15-13)9(18)21-12(4,5)6/h1-6H3,(H2,14,15,16,19)
InChIKeyHPPMDXOUISVKNA-UHFFFAOYSA-N
XLogP0.25
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl 2,5-dioxoimidazolidine-4,4-dicarboxylate?
The IUPAC name of ditert-butyl 2,5-dioxoimidazolidine-4,4-dicarboxylate (CID 22139635) is ditert-butyl 2,5-dioxoimidazolidine-4,4-dicarboxylate.
What is the SMILES notation for ditert-butyl 2,5-dioxoimidazolidine-4,4-dicarboxylate?
The canonical SMILES for ditert-butyl 2,5-dioxoimidazolidine-4,4-dicarboxylate is CC(C)(C)OC(=O)C1(C(=O)OC(C)(C)C)NC(=O)NC1=O.
What is the InChIKey of ditert-butyl 2,5-dioxoimidazolidine-4,4-dicarboxylate?
The InChIKey is HPPMDXOUISVKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O6/c1-11(2,3)20-8(17)13(7(16)14-10(19)15-13)9(18)21-12(4,5)6/h1-6H3,(H2,14,15,16,19).
What are the key properties of ditert-butyl 2,5-dioxoimidazolidine-4,4-dicarboxylate?
ditert-butyl 2,5-dioxoimidazolidine-4,4-dicarboxylate has a molecular weight of 300.31 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 2,5-dioxoimidazolidine-4,4-dicarboxylate is sourced from PubChem (CID 22139635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).