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

C9H16N2O3 — CID 67103564

IUPACtert-butyl 3-methyl-2-oxoimidazolidine-4-carboxylate
SMILESCN1C(=O)NCC1C(=O)OC(C)(C)C
InChIInChI=1S/C9H16N2O3/c1-9(2,3)14-7(12)6-5-10-8(13)11(6)4/h6H,5H2,1-4H3,(H,10,13)
InChIKeyXIDPUBVYKRDFSH-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.35
Rot. Bonds1

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

tert-butyl 3-methyl-2-oxoimidazolidine-4-carboxylate (PubChem CID 67103564) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is tert-butyl 3-methyl-2-oxoimidazolidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-2-oxoimidazolidine-4-carboxylate
PubChem CID67103564
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nametert-butyl 3-methyl-2-oxoimidazolidine-4-carboxylate
SMILESCN1C(=O)NCC1C(=O)OC(C)(C)C
InChIInChI=1S/C9H16N2O3/c1-9(2,3)14-7(12)6-5-10-8(13)11(6)4/h6H,5H2,1-4H3,(H,10,13)
InChIKeyXIDPUBVYKRDFSH-UHFFFAOYSA-N
XLogP0.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-2-oxoimidazolidine-4-carboxylate?
The IUPAC name of tert-butyl 3-methyl-2-oxoimidazolidine-4-carboxylate (CID 67103564) is tert-butyl 3-methyl-2-oxoimidazolidine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-2-oxoimidazolidine-4-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-2-oxoimidazolidine-4-carboxylate is CN1C(=O)NCC1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-methyl-2-oxoimidazolidine-4-carboxylate?
The InChIKey is XIDPUBVYKRDFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-9(2,3)14-7(12)6-5-10-8(13)11(6)4/h6H,5H2,1-4H3,(H,10,13).
What are the key properties of tert-butyl 3-methyl-2-oxoimidazolidine-4-carboxylate?
tert-butyl 3-methyl-2-oxoimidazolidine-4-carboxylate has a molecular weight of 200.24 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-2-oxoimidazolidine-4-carboxylate is sourced from PubChem (CID 67103564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).