tert-butyl 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate

C13H24N2O3 — CID 546472

IUPACtert-butyl 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate
SMILESCN1C(=O)CN(C(=O)OC(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-12(2,3)10-14(7)9(16)8-15(10)11(17)18-13(4,5)6/h10H,8H2,1-7H3
InChIKeyHJJLVATZPPJBNG-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.07
Rot. Bonds

About tert-butyl 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate

tert-butyl 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate (PubChem CID 546472) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate
PubChem CID546472
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate
SMILESCN1C(=O)CN(C(=O)OC(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-12(2,3)10-14(7)9(16)8-15(10)11(17)18-13(4,5)6/h10H,8H2,1-7H3
InChIKeyHJJLVATZPPJBNG-UHFFFAOYSA-N
XLogP2.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-tert-Butyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate
CID 688132
tert-Butyl (2R)-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate
CID 688133
Tert-butyl 3-propan-2-ylimidazolidine-1-carboxylate
CID 11390255
2-t-Butyl-3,5-dimethyl-4-oxo-imidazolidine-1-carboxylic acid, t-butyl ester
CID 546531
tert-butyl (5S)-5-methyl-3-propan-2-ylimidazolidine-1-carboxylate
CID 11218444
t-Butyl 5-bromo-2-t-butyl-3-methyl-4-oxoimidazol-1-carboxylate
CID 14841399
tert-butyl (2R,5R)-5-bromo-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate
CID 14841400
tert-butyl (2S,5S)-5-acetyl-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate
CID 124705952
tert-butyl (5S)-5-tert-butyl-2,2-dideuterio-6-methyl-7-oxo-4,6-diazaspiro[2.4]heptane-4-carboxylate
CID 134845024
1-Imidazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-5-(cyanomethyl)-3-methyl-4-oxo-, (1,1-dimethylethyl)ester
CID 546447
tert-Butyl 2-tert-butyl-5-ethyl-3-methyl-4-oxo-1-imidazolidinecarboxylate
CID 546578
tert-Butyl 2-tert-butyl-5-methoxy-3-methyl-4-oxo-1-imidazolidinecarboxylate
CID 546587

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate (CID 546472) is tert-butyl 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate is CN1C(=O)CN(C(=O)OC(C)(C)C)C1C(C)(C)C.
What is the InChIKey of tert-butyl 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate?
The InChIKey is HJJLVATZPPJBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-12(2,3)10-14(7)9(16)8-15(10)11(17)18-13(4,5)6/h10H,8H2,1-7H3.
What are the key properties of tert-butyl 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate?
tert-butyl 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate is sourced from PubChem (CID 546472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).