(3S)-1-(1-tert-butylazetidin-3-yl)-3-methoxypyrrolidine

C12H24N2O — CID 166567261

IUPAC(3S)-1-(1-tert-butylazetidin-3-yl)-3-methoxypyrrolidine
SMILESCO[C@H]1CCN(C2CN(C(C)(C)C)C2)C1
InChIInChI=1S/C12H24N2O/c1-12(2,3)14-7-10(8-14)13-6-5-11(9-13)15-4/h10-11H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyOVNLGJKBWNJQGK-NSHDSACASA-N
MW212.34 g/mol
LogP1.19
Rot. Bonds2

About (3S)-1-(1-tert-butylazetidin-3-yl)-3-methoxypyrrolidine

(3S)-1-(1-tert-butylazetidin-3-yl)-3-methoxypyrrolidine (PubChem CID 166567261) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (3S)-1-(1-tert-butylazetidin-3-yl)-3-methoxypyrrolidine.

Molecular Properties

Compound Name(3S)-1-(1-tert-butylazetidin-3-yl)-3-methoxypyrrolidine
PubChem CID166567261
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(3S)-1-(1-tert-butylazetidin-3-yl)-3-methoxypyrrolidine
SMILESCO[C@H]1CCN(C2CN(C(C)(C)C)C2)C1
InChIInChI=1S/C12H24N2O/c1-12(2,3)14-7-10(8-14)13-6-5-11(9-13)15-4/h10-11H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyOVNLGJKBWNJQGK-NSHDSACASA-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 (3S)-1-(1-tert-butylazetidin-3-yl)-3-methoxypyrrolidine?
The IUPAC name of (3S)-1-(1-tert-butylazetidin-3-yl)-3-methoxypyrrolidine (CID 166567261) is (3S)-1-(1-tert-butylazetidin-3-yl)-3-methoxypyrrolidine.
What is the SMILES notation for (3S)-1-(1-tert-butylazetidin-3-yl)-3-methoxypyrrolidine?
The canonical SMILES for (3S)-1-(1-tert-butylazetidin-3-yl)-3-methoxypyrrolidine is CO[C@H]1CCN(C2CN(C(C)(C)C)C2)C1.
What is the InChIKey of (3S)-1-(1-tert-butylazetidin-3-yl)-3-methoxypyrrolidine?
The InChIKey is OVNLGJKBWNJQGK-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)14-7-10(8-14)13-6-5-11(9-13)15-4/h10-11H,5-9H2,1-4H3/t11-/m0/s1.
What are the key properties of (3S)-1-(1-tert-butylazetidin-3-yl)-3-methoxypyrrolidine?
(3S)-1-(1-tert-butylazetidin-3-yl)-3-methoxypyrrolidine 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 (3S)-1-(1-tert-butylazetidin-3-yl)-3-methoxypyrrolidine is sourced from PubChem (CID 166567261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).