tert-butyl N-[(3-ethoxyazetidin-3-yl)methyl]carbamate

C11H22N2O3 — CID 167725752

IUPACtert-butyl N-[(3-ethoxyazetidin-3-yl)methyl]carbamate
SMILESCCOC1(CNC(=O)OC(C)(C)C)CNC1
InChIInChI=1S/C11H22N2O3/c1-5-15-11(6-12-7-11)8-13-9(14)16-10(2,3)4/h12H,5-8H2,1-4H3,(H,13,14)
InChIKeyVCCNMDWGPKWTJW-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.89
Rot. Bonds4

About tert-butyl N-[(3-ethoxyazetidin-3-yl)methyl]carbamate

tert-butyl N-[(3-ethoxyazetidin-3-yl)methyl]carbamate (PubChem CID 167725752) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[(3-ethoxyazetidin-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-ethoxyazetidin-3-yl)methyl]carbamate
PubChem CID167725752
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[(3-ethoxyazetidin-3-yl)methyl]carbamate
SMILESCCOC1(CNC(=O)OC(C)(C)C)CNC1
InChIInChI=1S/C11H22N2O3/c1-5-15-11(6-12-7-11)8-13-9(14)16-10(2,3)4/h12H,5-8H2,1-4H3,(H,13,14)
InChIKeyVCCNMDWGPKWTJW-UHFFFAOYSA-N
XLogP0.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-ethoxyazetidin-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(3-ethoxyazetidin-3-yl)methyl]carbamate (CID 167725752) is tert-butyl N-[(3-ethoxyazetidin-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3-ethoxyazetidin-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(3-ethoxyazetidin-3-yl)methyl]carbamate is CCOC1(CNC(=O)OC(C)(C)C)CNC1.
What is the InChIKey of tert-butyl N-[(3-ethoxyazetidin-3-yl)methyl]carbamate?
The InChIKey is VCCNMDWGPKWTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-15-11(6-12-7-11)8-13-9(14)16-10(2,3)4/h12H,5-8H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-[(3-ethoxyazetidin-3-yl)methyl]carbamate?
tert-butyl N-[(3-ethoxyazetidin-3-yl)methyl]carbamate has a molecular weight of 230.31 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-ethoxyazetidin-3-yl)methyl]carbamate is sourced from PubChem (CID 167725752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).