tert-butyl 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate

C13H22N2O4 — CID 142647406

IUPACtert-butyl 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
SMILESCN1C(=O)N(CCC(=O)OC(C)(C)C)C(=O)C1(C)C
InChIInChI=1S/C13H22N2O4/c1-12(2,3)19-9(16)7-8-15-10(17)13(4,5)14(6)11(15)18/h7-8H2,1-6H3
InChIKeyXOVVYBMTYATARS-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.39
Rot. Bonds3

About tert-butyl 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate

tert-butyl 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate (PubChem CID 142647406) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is tert-butyl 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
PubChem CID142647406
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Nametert-butyl 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
SMILESCN1C(=O)N(CCC(=O)OC(C)(C)C)C(=O)C1(C)C
InChIInChI=1S/C13H22N2O4/c1-12(2,3)19-9(16)7-8-15-10(17)13(4,5)14(6)11(15)18/h7-8H2,1-6H3
InChIKeyXOVVYBMTYATARS-UHFFFAOYSA-N
XLogP1.39
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate?
The IUPAC name of tert-butyl 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate (CID 142647406) is tert-butyl 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate.
What is the SMILES notation for tert-butyl 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate?
The canonical SMILES for tert-butyl 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate is CN1C(=O)N(CCC(=O)OC(C)(C)C)C(=O)C1(C)C.
What is the InChIKey of tert-butyl 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate?
The InChIKey is XOVVYBMTYATARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-12(2,3)19-9(16)7-8-15-10(17)13(4,5)14(6)11(15)18/h7-8H2,1-6H3.
What are the key properties of tert-butyl 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate?
tert-butyl 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate has a molecular weight of 270.33 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate is sourced from PubChem (CID 142647406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).