tert-butyl (2S)-2-[(5-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate

C14H19FN2O3 — CID 10802834

IUPACtert-butyl (2S)-2-[(5-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H]1COc1cncc(F)c1
InChIInChI=1S/C14H19FN2O3/c1-14(2,3)20-13(18)17-5-4-11(17)9-19-12-6-10(15)7-16-8-12/h6-8,11H,4-5,9H2,1-3H3/t11-/m0/s1
InChIKeyYWTOOYWRVNGCSV-NSHDSACASA-N
MW282.31 g/mol
LogP2.61
Rot. Bonds3

About tert-butyl (2S)-2-[(5-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate

tert-butyl (2S)-2-[(5-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate (PubChem CID 10802834) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(5-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(5-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
PubChem CID10802834
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Nametert-butyl (2S)-2-[(5-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H]1COc1cncc(F)c1
InChIInChI=1S/C14H19FN2O3/c1-14(2,3)20-13(18)17-5-4-11(17)9-19-12-6-10(15)7-16-8-12/h6-8,11H,4-5,9H2,1-3H3/t11-/m0/s1
InChIKeyYWTOOYWRVNGCSV-NSHDSACASA-N
XLogP2.61
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyridostigmine
CID 4991
3-((2S)-2-Azetidinylmethoxy)-5-iodo-pyridine
CID 6604876
Norpyridostigmine
CID 98821
3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401
2-Fluoro-A-85380
CID 10241442
2-Fluoro-3-(2S-azetidinylmethoxy)pyridine, F-18
CID 450860
N,N-dimethyl-2-(pyridin-3-yloxy)ethanamine
CID 10197862
Txg75jse9G
CID 10012482
5-[[(2R)-azetidin-2-yl]methoxy]-2-fluoropyridine
CID 10313392
5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridine
CID 10375065
3-[[(2S)-1-Methyl-2-azetidinyl]methoxy]pyridine
CID 10654912
3-[[(2S)-azetidin-2-yl]methoxy]-5-fluoropyridine
CID 10773767

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(5-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(5-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate (CID 10802834) is tert-butyl (2S)-2-[(5-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(5-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(5-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H]1COc1cncc(F)c1.
What is the InChIKey of tert-butyl (2S)-2-[(5-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate?
The InChIKey is YWTOOYWRVNGCSV-NSHDSACASA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-14(2,3)20-13(18)17-5-4-11(17)9-19-12-6-10(15)7-16-8-12/h6-8,11H,4-5,9H2,1-3H3/t11-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(5-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate?
tert-butyl (2S)-2-[(5-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate has a molecular weight of 282.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(5-fluoro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate is sourced from PubChem (CID 10802834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).