(2S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine

C8H17NO2 — CID 59954982

IUPAC(2S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine
SMILESCOC[C@@H]1CC(OC)CN1C
InChIInChI=1S/C8H17NO2/c1-9-5-8(11-3)4-7(9)6-10-2/h7-8H,4-6H2,1-3H3/t7-,8?/m0/s1
InChIKeyXYZPVCOYAULOJI-JAMMHHFISA-N
MW159.23 g/mol
LogP0.35
Rot. Bonds3

About (2S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine

(2S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine (PubChem CID 59954982) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine
PubChem CID59954982
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine
SMILESCOC[C@@H]1CC(OC)CN1C
InChIInChI=1S/C8H17NO2/c1-9-5-8(11-3)4-7(9)6-10-2/h7-8H,4-6H2,1-3H3/t7-,8?/m0/s1
InChIKeyXYZPVCOYAULOJI-JAMMHHFISA-N
XLogP0.35
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine?
The IUPAC name of (2S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine (CID 59954982) is (2S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine.
What is the SMILES notation for (2S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine?
The canonical SMILES for (2S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine is COC[C@@H]1CC(OC)CN1C.
What is the InChIKey of (2S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine?
The InChIKey is XYZPVCOYAULOJI-JAMMHHFISA-N. The full InChI is InChI=1S/C8H17NO2/c1-9-5-8(11-3)4-7(9)6-10-2/h7-8H,4-6H2,1-3H3/t7-,8?/m0/s1.
What are the key properties of (2S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine?
(2S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine has a molecular weight of 159.23 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine is sourced from PubChem (CID 59954982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).