[2-(azetidin-3-yl)-4,4-dimethylpentan-2-yl] carbamate

C11H22N2O2 — CID 175539211

IUPAC[2-(azetidin-3-yl)-4,4-dimethylpentan-2-yl] carbamate
SMILESCC(C)(C)CC(C)(OC(N)=O)C1CNC1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)7-11(4,15-9(12)14)8-5-13-6-8/h8,13H,5-7H2,1-4H3,(H2,12,14)
InChIKeyOGIZUSNJKAOKKE-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.50
Rot. Bonds3

About [2-(azetidin-3-yl)-4,4-dimethylpentan-2-yl] carbamate

[2-(azetidin-3-yl)-4,4-dimethylpentan-2-yl] carbamate (PubChem CID 175539211) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is [2-(azetidin-3-yl)-4,4-dimethylpentan-2-yl] carbamate.

Molecular Properties

Compound Name[2-(azetidin-3-yl)-4,4-dimethylpentan-2-yl] carbamate
PubChem CID175539211
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name[2-(azetidin-3-yl)-4,4-dimethylpentan-2-yl] carbamate
SMILESCC(C)(C)CC(C)(OC(N)=O)C1CNC1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)7-11(4,15-9(12)14)8-5-13-6-8/h8,13H,5-7H2,1-4H3,(H2,12,14)
InChIKeyOGIZUSNJKAOKKE-UHFFFAOYSA-N
XLogP1.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-3-yl)-4,4-dimethylpentan-2-yl] carbamate?
The IUPAC name of [2-(azetidin-3-yl)-4,4-dimethylpentan-2-yl] carbamate (CID 175539211) is [2-(azetidin-3-yl)-4,4-dimethylpentan-2-yl] carbamate.
What is the SMILES notation for [2-(azetidin-3-yl)-4,4-dimethylpentan-2-yl] carbamate?
The canonical SMILES for [2-(azetidin-3-yl)-4,4-dimethylpentan-2-yl] carbamate is CC(C)(C)CC(C)(OC(N)=O)C1CNC1.
What is the InChIKey of [2-(azetidin-3-yl)-4,4-dimethylpentan-2-yl] carbamate?
The InChIKey is OGIZUSNJKAOKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)7-11(4,15-9(12)14)8-5-13-6-8/h8,13H,5-7H2,1-4H3,(H2,12,14).
What are the key properties of [2-(azetidin-3-yl)-4,4-dimethylpentan-2-yl] carbamate?
[2-(azetidin-3-yl)-4,4-dimethylpentan-2-yl] carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azetidin-3-yl)-4,4-dimethylpentan-2-yl] carbamate is sourced from PubChem (CID 175539211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).