tert-butyl 3-(5-ethyl-3-pyridinyl)azetidine-1-carboxylate

C15H22N2O2 — CID 140928431

IUPACtert-butyl 3-(5-ethyl-3-pyridinyl)azetidine-1-carboxylate
SMILESCCc1cncc(C2CN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C15H22N2O2/c1-5-11-6-12(8-16-7-11)13-9-17(10-13)14(18)19-15(2,3)4/h6-8,13H,5,9-10H2,1-4H3
InChIKeyVDCQZTYQIYCAAC-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.98
Rot. Bonds2

About tert-butyl 3-(5-ethyl-3-pyridinyl)azetidine-1-carboxylate

tert-butyl 3-(5-ethyl-3-pyridinyl)azetidine-1-carboxylate (PubChem CID 140928431) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl 3-(5-ethyl-3-pyridinyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-ethyl-3-pyridinyl)azetidine-1-carboxylate
PubChem CID140928431
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl 3-(5-ethyl-3-pyridinyl)azetidine-1-carboxylate
SMILESCCc1cncc(C2CN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C15H22N2O2/c1-5-11-6-12(8-16-7-11)13-9-17(10-13)14(18)19-15(2,3)4/h6-8,13H,5,9-10H2,1-4H3
InChIKeyVDCQZTYQIYCAAC-UHFFFAOYSA-N
XLogP2.98
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate
CID 91663948
tert-butyl 3-(5-isocyanato-3-pyridinyl)pyrrolidine-1-carboxylate
CID 115052584
tert-butyl 6-(pyrimidin-5-ylmethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238373
tert-butyl 3-(4-methoxycarbonylphenyl)azetidine-1-carboxylate
CID 59452083
tert-butyl 4-(5-cyclopropyl-3-pyridinyl)-1,4-diazepane-1-carboxylate
CID 11695402
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,2-oxazole-3-carboxylate
CID 168510021
tert-butyl (1R,5S)-7-ethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 97178628
tert-butyl 3-(4-nitrosophenyl)azetidine-1-carboxylate
CID 177364546
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate
CID 171716686
tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine
CID 123647865

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-ethyl-3-pyridinyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-ethyl-3-pyridinyl)azetidine-1-carboxylate (CID 140928431) is tert-butyl 3-(5-ethyl-3-pyridinyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-ethyl-3-pyridinyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-ethyl-3-pyridinyl)azetidine-1-carboxylate is CCc1cncc(C2CN(C(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of tert-butyl 3-(5-ethyl-3-pyridinyl)azetidine-1-carboxylate?
The InChIKey is VDCQZTYQIYCAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-11-6-12(8-16-7-11)13-9-17(10-13)14(18)19-15(2,3)4/h6-8,13H,5,9-10H2,1-4H3.
What are the key properties of tert-butyl 3-(5-ethyl-3-pyridinyl)azetidine-1-carboxylate?
tert-butyl 3-(5-ethyl-3-pyridinyl)azetidine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-ethyl-3-pyridinyl)azetidine-1-carboxylate is sourced from PubChem (CID 140928431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).