tert-butyl 3-(dimethylcarbamoyl)azetidine-1-carboxylate

C11H20N2O3 — CID 59492610

IUPACtert-butyl 3-(dimethylcarbamoyl)azetidine-1-carboxylate
SMILESCN(C)C(=O)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-8(7-13)9(14)12(4)5/h8H,6-7H2,1-5H3
InChIKeyXECJYEGBYOWSRD-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.94
Rot. Bonds1

About tert-butyl 3-(dimethylcarbamoyl)azetidine-1-carboxylate

tert-butyl 3-(dimethylcarbamoyl)azetidine-1-carboxylate (PubChem CID 59492610) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl 3-(dimethylcarbamoyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(dimethylcarbamoyl)azetidine-1-carboxylate
PubChem CID59492610
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl 3-(dimethylcarbamoyl)azetidine-1-carboxylate
SMILESCN(C)C(=O)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-8(7-13)9(14)12(4)5/h8H,6-7H2,1-5H3
InChIKeyXECJYEGBYOWSRD-UHFFFAOYSA-N
XLogP0.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 165859645
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CID 118155290
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CID 126504386
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CID 155742156
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(dimethylcarbamoyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(dimethylcarbamoyl)azetidine-1-carboxylate (CID 59492610) is tert-butyl 3-(dimethylcarbamoyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(dimethylcarbamoyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(dimethylcarbamoyl)azetidine-1-carboxylate is CN(C)C(=O)C1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(dimethylcarbamoyl)azetidine-1-carboxylate?
The InChIKey is XECJYEGBYOWSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-8(7-13)9(14)12(4)5/h8H,6-7H2,1-5H3.
What are the key properties of tert-butyl 3-(dimethylcarbamoyl)azetidine-1-carboxylate?
tert-butyl 3-(dimethylcarbamoyl)azetidine-1-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(dimethylcarbamoyl)azetidine-1-carboxylate is sourced from PubChem (CID 59492610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).