(3S)-3-methoxy-3-[(2S)-1-methylazetidin-2-yl]pyrrolidine

C9H18N2O — CID 177005690

IUPAC(3S)-3-methoxy-3-[(2S)-1-methylazetidin-2-yl]pyrrolidine
SMILESCO[C@@]1([C@@H]2CCN2C)CCNC1
InChIInChI=1S/C9H18N2O/c1-11-6-3-8(11)9(12-2)4-5-10-7-9/h8,10H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyQDDRKPONVMOLKX-IUCAKERBSA-N
MW170.26 g/mol
LogP0.07
Rot. Bonds2

About (3S)-3-methoxy-3-[(2S)-1-methylazetidin-2-yl]pyrrolidine

(3S)-3-methoxy-3-[(2S)-1-methylazetidin-2-yl]pyrrolidine (PubChem CID 177005690) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (3S)-3-methoxy-3-[(2S)-1-methylazetidin-2-yl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-methoxy-3-[(2S)-1-methylazetidin-2-yl]pyrrolidine
PubChem CID177005690
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(3S)-3-methoxy-3-[(2S)-1-methylazetidin-2-yl]pyrrolidine
SMILESCO[C@@]1([C@@H]2CCN2C)CCNC1
InChIInChI=1S/C9H18N2O/c1-11-6-3-8(11)9(12-2)4-5-10-7-9/h8,10H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyQDDRKPONVMOLKX-IUCAKERBSA-N
XLogP0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxy-3-[(2S)-1-methylazetidin-2-yl]pyrrolidine?
The IUPAC name of (3S)-3-methoxy-3-[(2S)-1-methylazetidin-2-yl]pyrrolidine (CID 177005690) is (3S)-3-methoxy-3-[(2S)-1-methylazetidin-2-yl]pyrrolidine.
What is the SMILES notation for (3S)-3-methoxy-3-[(2S)-1-methylazetidin-2-yl]pyrrolidine?
The canonical SMILES for (3S)-3-methoxy-3-[(2S)-1-methylazetidin-2-yl]pyrrolidine is CO[C@@]1([C@@H]2CCN2C)CCNC1.
What is the InChIKey of (3S)-3-methoxy-3-[(2S)-1-methylazetidin-2-yl]pyrrolidine?
The InChIKey is QDDRKPONVMOLKX-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11-6-3-8(11)9(12-2)4-5-10-7-9/h8,10H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (3S)-3-methoxy-3-[(2S)-1-methylazetidin-2-yl]pyrrolidine?
(3S)-3-methoxy-3-[(2S)-1-methylazetidin-2-yl]pyrrolidine has a molecular weight of 170.26 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxy-3-[(2S)-1-methylazetidin-2-yl]pyrrolidine is sourced from PubChem (CID 177005690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).