tert-butyl 3-(oxiran-2-yl)-3-pyridin-2-ylazetidine-1-carboxylate

C15H20N2O3 — CID 135396869

IUPACtert-butyl 3-(oxiran-2-yl)-3-pyridin-2-ylazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2ccccn2)(C2CO2)C1
InChIInChI=1S/C15H20N2O3/c1-14(2,3)20-13(18)17-9-15(10-17,12-8-19-12)11-6-4-5-7-16-11/h4-7,12H,8-10H2,1-3H3
InChIKeyGOVJOHZWAZDTHI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.97
Rot. Bonds2

About tert-butyl 3-(oxiran-2-yl)-3-pyridin-2-ylazetidine-1-carboxylate

tert-butyl 3-(oxiran-2-yl)-3-pyridin-2-ylazetidine-1-carboxylate (PubChem CID 135396869) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is tert-butyl 3-(oxiran-2-yl)-3-pyridin-2-ylazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(oxiran-2-yl)-3-pyridin-2-ylazetidine-1-carboxylate
PubChem CID135396869
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nametert-butyl 3-(oxiran-2-yl)-3-pyridin-2-ylazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2ccccn2)(C2CO2)C1
InChIInChI=1S/C15H20N2O3/c1-14(2,3)20-13(18)17-9-15(10-17,12-8-19-12)11-6-4-5-7-16-11/h4-7,12H,8-10H2,1-3H3
InChIKeyGOVJOHZWAZDTHI-UHFFFAOYSA-N
XLogP1.97
TPSA54.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 90344395
tert-butyl 4-cyano-4-pyridin-2-ylpiperidine-1-carboxylate
CID 53439111
tert-butyl 3-(methoxycarbonylamino)-3-pyridin-2-ylpyrrolidine-1-carboxylate
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tert-butyl spiro[1,2-dihydropyrido[2,3-b][1,4]oxazine-3,3'-azetidine]-1'-carboxylate
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tert-butyl 3-amino-3-(pyridin-2-ylmethyl)pyrrolidine-1-carboxylate
CID 83694152
tert-butyl 6-hydroxy-6-pyridin-3-yl-2-azaspiro[3.3]heptane-2-carboxylate
CID 168920605
(3S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-2-ylpyrrolidine-3-carboxylate
CID 7135712

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(oxiran-2-yl)-3-pyridin-2-ylazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(oxiran-2-yl)-3-pyridin-2-ylazetidine-1-carboxylate (CID 135396869) is tert-butyl 3-(oxiran-2-yl)-3-pyridin-2-ylazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(oxiran-2-yl)-3-pyridin-2-ylazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(oxiran-2-yl)-3-pyridin-2-ylazetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(c2ccccn2)(C2CO2)C1.
What is the InChIKey of tert-butyl 3-(oxiran-2-yl)-3-pyridin-2-ylazetidine-1-carboxylate?
The InChIKey is GOVJOHZWAZDTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-14(2,3)20-13(18)17-9-15(10-17,12-8-19-12)11-6-4-5-7-16-11/h4-7,12H,8-10H2,1-3H3.
What are the key properties of tert-butyl 3-(oxiran-2-yl)-3-pyridin-2-ylazetidine-1-carboxylate?
tert-butyl 3-(oxiran-2-yl)-3-pyridin-2-ylazetidine-1-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(oxiran-2-yl)-3-pyridin-2-ylazetidine-1-carboxylate is sourced from PubChem (CID 135396869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).