tert-butyl 3-(azetidin-3-ylmethyl)cyclobutane-1-carboxylate

C13H23NO2 — CID 176906167

IUPACtert-butyl 3-(azetidin-3-ylmethyl)cyclobutane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CC(CC2CNC2)C1
InChIInChI=1S/C13H23NO2/c1-13(2,3)16-12(15)11-5-9(6-11)4-10-7-14-8-10/h9-11,14H,4-8H2,1-3H3
InChIKeyJYJIBXIELGRXOU-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.96
Rot. Bonds3

About tert-butyl 3-(azetidin-3-ylmethyl)cyclobutane-1-carboxylate

tert-butyl 3-(azetidin-3-ylmethyl)cyclobutane-1-carboxylate (PubChem CID 176906167) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl 3-(azetidin-3-ylmethyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(azetidin-3-ylmethyl)cyclobutane-1-carboxylate
PubChem CID176906167
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl 3-(azetidin-3-ylmethyl)cyclobutane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CC(CC2CNC2)C1
InChIInChI=1S/C13H23NO2/c1-13(2,3)16-12(15)11-5-9(6-11)4-10-7-14-8-10/h9-11,14H,4-8H2,1-3H3
InChIKeyJYJIBXIELGRXOU-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-(azetidin-3-ylmethyl)cyclobutane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(azetidin-3-ylmethyl)cyclobutane-1-carboxylate?
The IUPAC name of tert-butyl 3-(azetidin-3-ylmethyl)cyclobutane-1-carboxylate (CID 176906167) is tert-butyl 3-(azetidin-3-ylmethyl)cyclobutane-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(azetidin-3-ylmethyl)cyclobutane-1-carboxylate?
The canonical SMILES for tert-butyl 3-(azetidin-3-ylmethyl)cyclobutane-1-carboxylate is CC(C)(C)OC(=O)C1CC(CC2CNC2)C1.
What is the InChIKey of tert-butyl 3-(azetidin-3-ylmethyl)cyclobutane-1-carboxylate?
The InChIKey is JYJIBXIELGRXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2,3)16-12(15)11-5-9(6-11)4-10-7-14-8-10/h9-11,14H,4-8H2,1-3H3.
What are the key properties of tert-butyl 3-(azetidin-3-ylmethyl)cyclobutane-1-carboxylate?
tert-butyl 3-(azetidin-3-ylmethyl)cyclobutane-1-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(azetidin-3-ylmethyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 176906167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).