[1-(azetidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate

C10H20N2O2 — CID 140796247

IUPAC[1-(azetidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate
SMILESCNC(=O)OC(C1CNC1)C(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-10(2,3)8(7-5-12-6-7)14-9(13)11-4/h7-8,12H,5-6H2,1-4H3,(H,11,13)
InChIKeyZATZEUGHPCRMKT-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.98
Rot. Bonds2

About [1-(azetidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate

[1-(azetidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate (PubChem CID 140796247) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is [1-(azetidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate.

Molecular Properties

Compound Name[1-(azetidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate
PubChem CID140796247
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name[1-(azetidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate
SMILESCNC(=O)OC(C1CNC1)C(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-10(2,3)8(7-5-12-6-7)14-9(13)11-4/h7-8,12H,5-6H2,1-4H3,(H,11,13)
InChIKeyZATZEUGHPCRMKT-UHFFFAOYSA-N
XLogP0.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(azetidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate?
The IUPAC name of [1-(azetidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate (CID 140796247) is [1-(azetidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate.
What is the SMILES notation for [1-(azetidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate?
The canonical SMILES for [1-(azetidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate is CNC(=O)OC(C1CNC1)C(C)(C)C.
What is the InChIKey of [1-(azetidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate?
The InChIKey is ZATZEUGHPCRMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)8(7-5-12-6-7)14-9(13)11-4/h7-8,12H,5-6H2,1-4H3,(H,11,13).
What are the key properties of [1-(azetidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate?
[1-(azetidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate has a molecular weight of 200.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azetidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate is sourced from PubChem (CID 140796247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).