ditert-butyl 2-oxoimidazolidine-1,4-dicarboxylate

C13H22N2O5 — CID 122155788

IUPACditert-butyl 2-oxoimidazolidine-1,4-dicarboxylate
SMILESCC(C)(C)OC(=O)C1CN(C(=O)OC(C)(C)C)C(=O)N1
InChIInChI=1S/C13H22N2O5/c1-12(2,3)19-9(16)8-7-15(10(17)14-8)11(18)20-13(4,5)6/h8H,7H2,1-6H3,(H,14,17)
InChIKeyIOIRUGCWQKEXPJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.66
Rot. Bonds1

About ditert-butyl 2-oxoimidazolidine-1,4-dicarboxylate

ditert-butyl 2-oxoimidazolidine-1,4-dicarboxylate (PubChem CID 122155788) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is ditert-butyl 2-oxoimidazolidine-1,4-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl 2-oxoimidazolidine-1,4-dicarboxylate
PubChem CID122155788
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Nameditert-butyl 2-oxoimidazolidine-1,4-dicarboxylate
SMILESCC(C)(C)OC(=O)C1CN(C(=O)OC(C)(C)C)C(=O)N1
InChIInChI=1S/C13H22N2O5/c1-12(2,3)19-9(16)8-7-15(10(17)14-8)11(18)20-13(4,5)6/h8H,7H2,1-6H3,(H,14,17)
InChIKeyIOIRUGCWQKEXPJ-UHFFFAOYSA-N
XLogP1.66
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-Butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
CID 13053976
Tert-butyl 2-oxoimidazolidine-4-carboxylate
CID 69230535
2-[(t-Butoxycarbonyl)amino]-3-(2,4-dioxoimidazolidin-1-yl)propanoic acid
CID 171919159
methyl (4S)-1-acetyl-2-oxoimidazolidine-4-carboxylate
CID 385474
tert-butyl (4S)-4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 11695642
tert-butyl (4S)-1-methyl-2-oxo-3-[(2S)-2-(prop-2-enylamino)propanoyl]imidazolidine-4-carboxylate
CID 134917741
tert-butyl (4S)-4-[(methylcarbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 135036918
tert-butyl (4S)-4-[(carbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 135037030
tert-butyl (2R)-3-(2,2-dimethyl-5-oxoimidazolidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 162406394
tert-butyl (4S)-1-(2,2-difluoroethyl)-2-oxoimidazolidine-4-carboxylate
CID 168024310
tert-butyl (4S)-2-oxo-1-(2,2,2-trifluoroethyl)imidazolidine-4-carboxylate
CID 168024313
Methyl 1-acetyl-2-oxoimidazolidine-4-carboxylate
CID 385467

Frequently Asked Questions

What is the IUPAC name of ditert-butyl 2-oxoimidazolidine-1,4-dicarboxylate?
The IUPAC name of ditert-butyl 2-oxoimidazolidine-1,4-dicarboxylate (CID 122155788) is ditert-butyl 2-oxoimidazolidine-1,4-dicarboxylate.
What is the SMILES notation for ditert-butyl 2-oxoimidazolidine-1,4-dicarboxylate?
The canonical SMILES for ditert-butyl 2-oxoimidazolidine-1,4-dicarboxylate is CC(C)(C)OC(=O)C1CN(C(=O)OC(C)(C)C)C(=O)N1.
What is the InChIKey of ditert-butyl 2-oxoimidazolidine-1,4-dicarboxylate?
The InChIKey is IOIRUGCWQKEXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-12(2,3)19-9(16)8-7-15(10(17)14-8)11(18)20-13(4,5)6/h8H,7H2,1-6H3,(H,14,17).
What are the key properties of ditert-butyl 2-oxoimidazolidine-1,4-dicarboxylate?
ditert-butyl 2-oxoimidazolidine-1,4-dicarboxylate has a molecular weight of 286.33 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 2-oxoimidazolidine-1,4-dicarboxylate is sourced from PubChem (CID 122155788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).