tert-butyl (4S,5R)-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxylate

C11H20N2O3 — CID 135056492

IUPACtert-butyl (4S,5R)-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxylate
SMILESCC[C@@]1(C)NC(=O)N[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O3/c1-6-11(5)7(12-9(15)13-11)8(14)16-10(2,3)4/h7H,6H2,1-5H3,(H2,12,13,15)/t7-,11-/m1/s1
InChIKeyOWXYIIVZWAOWNF-RDDDGLTNSA-N
MW228.29 g/mol
LogP1.18
Rot. Bonds2

About tert-butyl (4S,5R)-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxylate

tert-butyl (4S,5R)-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxylate (PubChem CID 135056492) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl (4S,5R)-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5R)-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxylate
PubChem CID135056492
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl (4S,5R)-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxylate
SMILESCC[C@@]1(C)NC(=O)N[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O3/c1-6-11(5)7(12-9(15)13-11)8(14)16-10(2,3)4/h7H,6H2,1-5H3,(H2,12,13,15)/t7-,11-/m1/s1
InChIKeyOWXYIIVZWAOWNF-RDDDGLTNSA-N
XLogP1.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5R)-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxylate?
The IUPAC name of tert-butyl (4S,5R)-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxylate (CID 135056492) is tert-butyl (4S,5R)-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxylate.
What is the SMILES notation for tert-butyl (4S,5R)-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxylate?
The canonical SMILES for tert-butyl (4S,5R)-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxylate is CC[C@@]1(C)NC(=O)N[C@@H]1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S,5R)-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxylate?
The InChIKey is OWXYIIVZWAOWNF-RDDDGLTNSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-6-11(5)7(12-9(15)13-11)8(14)16-10(2,3)4/h7H,6H2,1-5H3,(H2,12,13,15)/t7-,11-/m1/s1.
What are the key properties of tert-butyl (4S,5R)-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxylate?
tert-butyl (4S,5R)-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S,5R)-5-ethyl-5-methyl-2-oxoimidazolidine-4-carboxylate is sourced from PubChem (CID 135056492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).