(3R)-1-tert-butyl-3-(3-methoxyazetidin-1-yl)pyrrolidine

C12H24N2O — CID 166567307

IUPAC(3R)-1-tert-butyl-3-(3-methoxyazetidin-1-yl)pyrrolidine
SMILESCOC1CN([C@@H]2CCN(C(C)(C)C)C2)C1
InChIInChI=1S/C12H24N2O/c1-12(2,3)14-6-5-10(7-14)13-8-11(9-13)15-4/h10-11H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyNJRWPJUHONPKFJ-SNVBAGLBSA-N
MW212.34 g/mol
LogP1.19
Rot. Bonds2

About (3R)-1-tert-butyl-3-(3-methoxyazetidin-1-yl)pyrrolidine

(3R)-1-tert-butyl-3-(3-methoxyazetidin-1-yl)pyrrolidine (PubChem CID 166567307) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (3R)-1-tert-butyl-3-(3-methoxyazetidin-1-yl)pyrrolidine.

Molecular Properties

Compound Name(3R)-1-tert-butyl-3-(3-methoxyazetidin-1-yl)pyrrolidine
PubChem CID166567307
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(3R)-1-tert-butyl-3-(3-methoxyazetidin-1-yl)pyrrolidine
SMILESCOC1CN([C@@H]2CCN(C(C)(C)C)C2)C1
InChIInChI=1S/C12H24N2O/c1-12(2,3)14-6-5-10(7-14)13-8-11(9-13)15-4/h10-11H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyNJRWPJUHONPKFJ-SNVBAGLBSA-N
XLogP1.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-tert-butyl-3-(3-methoxyazetidin-1-yl)pyrrolidine?
The IUPAC name of (3R)-1-tert-butyl-3-(3-methoxyazetidin-1-yl)pyrrolidine (CID 166567307) is (3R)-1-tert-butyl-3-(3-methoxyazetidin-1-yl)pyrrolidine.
What is the SMILES notation for (3R)-1-tert-butyl-3-(3-methoxyazetidin-1-yl)pyrrolidine?
The canonical SMILES for (3R)-1-tert-butyl-3-(3-methoxyazetidin-1-yl)pyrrolidine is COC1CN([C@@H]2CCN(C(C)(C)C)C2)C1.
What is the InChIKey of (3R)-1-tert-butyl-3-(3-methoxyazetidin-1-yl)pyrrolidine?
The InChIKey is NJRWPJUHONPKFJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)14-6-5-10(7-14)13-8-11(9-13)15-4/h10-11H,5-9H2,1-4H3/t10-/m1/s1.
What are the key properties of (3R)-1-tert-butyl-3-(3-methoxyazetidin-1-yl)pyrrolidine?
(3R)-1-tert-butyl-3-(3-methoxyazetidin-1-yl)pyrrolidine has a molecular weight of 212.34 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tert-butyl-3-(3-methoxyazetidin-1-yl)pyrrolidine is sourced from PubChem (CID 166567307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).