(4S)-3-(3,3-diethylazetidin-1-yl)-4-methoxypyrrolidine

C12H24N2O — CID 79677032

IUPAC(4S)-3-(3,3-diethylazetidin-1-yl)-4-methoxypyrrolidine
SMILESCCC1(CC)CN(C2CNC[C@@H]2OC)C1
InChIInChI=1S/C12H24N2O/c1-4-12(5-2)8-14(9-12)10-6-13-7-11(10)15-3/h10-11,13H,4-9H2,1-3H3/t10?,11-/m0/s1
InChIKeyKZLPVGHQDAAVEL-DTIOYNMSSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds4

About (4S)-3-(3,3-diethylazetidin-1-yl)-4-methoxypyrrolidine

(4S)-3-(3,3-diethylazetidin-1-yl)-4-methoxypyrrolidine (PubChem CID 79677032) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (4S)-3-(3,3-diethylazetidin-1-yl)-4-methoxypyrrolidine.

Molecular Properties

Compound Name(4S)-3-(3,3-diethylazetidin-1-yl)-4-methoxypyrrolidine
PubChem CID79677032
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(4S)-3-(3,3-diethylazetidin-1-yl)-4-methoxypyrrolidine
SMILESCCC1(CC)CN(C2CNC[C@@H]2OC)C1
InChIInChI=1S/C12H24N2O/c1-4-12(5-2)8-14(9-12)10-6-13-7-11(10)15-3/h10-11,13H,4-9H2,1-3H3/t10?,11-/m0/s1
InChIKeyKZLPVGHQDAAVEL-DTIOYNMSSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(3,3-diethylazetidin-1-yl)-4-methoxypyrrolidine?
The IUPAC name of (4S)-3-(3,3-diethylazetidin-1-yl)-4-methoxypyrrolidine (CID 79677032) is (4S)-3-(3,3-diethylazetidin-1-yl)-4-methoxypyrrolidine.
What is the SMILES notation for (4S)-3-(3,3-diethylazetidin-1-yl)-4-methoxypyrrolidine?
The canonical SMILES for (4S)-3-(3,3-diethylazetidin-1-yl)-4-methoxypyrrolidine is CCC1(CC)CN(C2CNC[C@@H]2OC)C1.
What is the InChIKey of (4S)-3-(3,3-diethylazetidin-1-yl)-4-methoxypyrrolidine?
The InChIKey is KZLPVGHQDAAVEL-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-12(5-2)8-14(9-12)10-6-13-7-11(10)15-3/h10-11,13H,4-9H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of (4S)-3-(3,3-diethylazetidin-1-yl)-4-methoxypyrrolidine?
(4S)-3-(3,3-diethylazetidin-1-yl)-4-methoxypyrrolidine has a molecular weight of 212.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(3,3-diethylazetidin-1-yl)-4-methoxypyrrolidine is sourced from PubChem (CID 79677032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).