tert-butyl 3-pyridin-2-yloxyazetidine-1-carboxylate

C13H18N2O3 — CID 24902673

IUPACtert-butyl 3-pyridin-2-yloxyazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Oc2ccccn2)C1
InChIInChI=1S/C13H18N2O3/c1-13(2,3)18-12(16)15-8-10(9-15)17-11-6-4-5-7-14-11/h4-7,10H,8-9H2,1-3H3
InChIKeyIRIHNITYXPTXEL-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.08
Rot. Bonds2

About tert-butyl 3-pyridin-2-yloxyazetidine-1-carboxylate

tert-butyl 3-pyridin-2-yloxyazetidine-1-carboxylate (PubChem CID 24902673) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is tert-butyl 3-pyridin-2-yloxyazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-pyridin-2-yloxyazetidine-1-carboxylate
PubChem CID24902673
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nametert-butyl 3-pyridin-2-yloxyazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Oc2ccccn2)C1
InChIInChI=1S/C13H18N2O3/c1-13(2,3)18-12(16)15-8-10(9-15)17-11-6-4-5-7-14-11/h4-7,10H,8-9H2,1-3H3
InChIKeyIRIHNITYXPTXEL-UHFFFAOYSA-N
XLogP2.08
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-pyridin-2-yloxyazetidine-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-pyridin-2-yloxyazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-pyridin-2-yloxyazetidine-1-carboxylate (CID 24902673) is tert-butyl 3-pyridin-2-yloxyazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-pyridin-2-yloxyazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-pyridin-2-yloxyazetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(Oc2ccccn2)C1.
What is the InChIKey of tert-butyl 3-pyridin-2-yloxyazetidine-1-carboxylate?
The InChIKey is IRIHNITYXPTXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2,3)18-12(16)15-8-10(9-15)17-11-6-4-5-7-14-11/h4-7,10H,8-9H2,1-3H3.
What are the key properties of tert-butyl 3-pyridin-2-yloxyazetidine-1-carboxylate?
tert-butyl 3-pyridin-2-yloxyazetidine-1-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-pyridin-2-yloxyazetidine-1-carboxylate is sourced from PubChem (CID 24902673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).