tert-butyl N-[(2-oxoimidazolidin-4-yl)methyl]carbamate

C9H17N3O3 — CID 131188444

IUPACtert-butyl N-[(2-oxoimidazolidin-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CNC(=O)N1
InChIInChI=1S/C9H17N3O3/c1-9(2,3)15-8(14)11-5-6-4-10-7(13)12-6/h6H,4-5H2,1-3H3,(H,11,14)(H2,10,12,13)
InChIKeyQGYVWUITRYXBQK-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.19
Rot. Bonds2

About tert-butyl N-[(2-oxoimidazolidin-4-yl)methyl]carbamate

tert-butyl N-[(2-oxoimidazolidin-4-yl)methyl]carbamate (PubChem CID 131188444) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is tert-butyl N-[(2-oxoimidazolidin-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-oxoimidazolidin-4-yl)methyl]carbamate
PubChem CID131188444
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Nametert-butyl N-[(2-oxoimidazolidin-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CNC(=O)N1
InChIInChI=1S/C9H17N3O3/c1-9(2,3)15-8(14)11-5-6-4-10-7(13)12-6/h6H,4-5H2,1-3H3,(H,11,14)(H2,10,12,13)
InChIKeyQGYVWUITRYXBQK-UHFFFAOYSA-N
XLogP0.19
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-oxoimidazolidin-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2-oxoimidazolidin-4-yl)methyl]carbamate (CID 131188444) is tert-butyl N-[(2-oxoimidazolidin-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-oxoimidazolidin-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-oxoimidazolidin-4-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CNC(=O)N1.
What is the InChIKey of tert-butyl N-[(2-oxoimidazolidin-4-yl)methyl]carbamate?
The InChIKey is QGYVWUITRYXBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-9(2,3)15-8(14)11-5-6-4-10-7(13)12-6/h6H,4-5H2,1-3H3,(H,11,14)(H2,10,12,13).
What are the key properties of tert-butyl N-[(2-oxoimidazolidin-4-yl)methyl]carbamate?
tert-butyl N-[(2-oxoimidazolidin-4-yl)methyl]carbamate has a molecular weight of 215.25 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-oxoimidazolidin-4-yl)methyl]carbamate is sourced from PubChem (CID 131188444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).