tert-butyl N-(azetidin-3-yl)-N-ethylcarbamate

C10H20N2O2 — CID 53404741

IUPACtert-butyl N-(azetidin-3-yl)-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)C1CNC1
InChIInChI=1S/C10H20N2O2/c1-5-12(8-6-11-7-8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3
InChIKeyJSDWCZZDKHFHKH-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.22
Rot. Bonds2

About tert-butyl N-(azetidin-3-yl)-N-ethylcarbamate

tert-butyl N-(azetidin-3-yl)-N-ethylcarbamate (PubChem CID 53404741) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl N-(azetidin-3-yl)-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(azetidin-3-yl)-N-ethylcarbamate
PubChem CID53404741
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl N-(azetidin-3-yl)-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)C1CNC1
InChIInChI=1S/C10H20N2O2/c1-5-12(8-6-11-7-8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3
InChIKeyJSDWCZZDKHFHKH-UHFFFAOYSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(azetidin-3-yl)-N-ethylcarbamate?
The IUPAC name of tert-butyl N-(azetidin-3-yl)-N-ethylcarbamate (CID 53404741) is tert-butyl N-(azetidin-3-yl)-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-(azetidin-3-yl)-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-(azetidin-3-yl)-N-ethylcarbamate is CCN(C(=O)OC(C)(C)C)C1CNC1.
What is the InChIKey of tert-butyl N-(azetidin-3-yl)-N-ethylcarbamate?
The InChIKey is JSDWCZZDKHFHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-5-12(8-6-11-7-8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3.
What are the key properties of tert-butyl N-(azetidin-3-yl)-N-ethylcarbamate?
tert-butyl N-(azetidin-3-yl)-N-ethylcarbamate has a molecular weight of 200.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(azetidin-3-yl)-N-ethylcarbamate is sourced from PubChem (CID 53404741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).