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

C8H17NO2 — CID 59168789

IUPAC(2S,4S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine
SMILESCOC[C@@H]1C[C@H](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-YUMQZZPRSA-N
MW159.23 g/mol
LogP0.35
Rot. Bonds3

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

(2S,4S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine (PubChem CID 59168789) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine
PubChem CID59168789
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2S,4S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine
SMILESCOC[C@@H]1C[C@H](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-YUMQZZPRSA-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

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Related Compounds

[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methanol
CID 59971151
2-[2-(2-Methoxyethoxy)ethoxymethyl]-1-methyl-pyrrolidine
CID 479964
Pyrrolidinium, 2-[[2-(2-methoxyethoxy)ethoxy]methyl]-1,1-dimethyl-
CID 479965
[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methanol hydrochloride
CID 145913684
((2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl)methanol hydrochloride
CID 165589760
N-butyl-N-(oxolan-2-ylmethyl)butan-1-amine
CID 10998362
Bismethoxymethyl pyrrolidine
CID 22475505
(2R)-2-(methoxymethyl)-1-methylpyrrolidine
CID 57512644
(2R,5R)-2,5-bis(methoxymethyl)-1-methylpyrrolidine
CID 59895925
((2S,4S)-4-Methoxy-1-methylpyrrolidin-2-yl)methanol
CID 58903082
(2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 89317886
1-(2-Fluoroethyl)-2-(methoxymethyl)pyrrolidine
CID 131202671

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine?
The IUPAC name of (2S,4S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine (CID 59168789) is (2S,4S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine.
What is the SMILES notation for (2S,4S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine?
The canonical SMILES for (2S,4S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine is COC[C@@H]1C[C@H](OC)CN1C.
What is the InChIKey of (2S,4S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine?
The InChIKey is XYZPVCOYAULOJI-YUMQZZPRSA-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,4S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine?
(2S,4S)-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,4S)-4-methoxy-2-(methoxymethyl)-1-methylpyrrolidine is sourced from PubChem (CID 59168789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).