(2S,3S)-3-(methoxymethyl)-1,2-dimethylpyrrolidine

C8H17NO — CID 143529669

IUPAC(2S,3S)-3-(methoxymethyl)-1,2-dimethylpyrrolidine
SMILESCOC[C@H]1CCN(C)[C@H]1C
InChIInChI=1S/C8H17NO/c1-7-8(6-10-3)4-5-9(7)2/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyZXTZUEZFQXQINC-JGVFFNPUSA-N
MW143.23 g/mol
LogP0.97
Rot. Bonds2

About (2S,3S)-3-(methoxymethyl)-1,2-dimethylpyrrolidine

(2S,3S)-3-(methoxymethyl)-1,2-dimethylpyrrolidine (PubChem CID 143529669) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2S,3S)-3-(methoxymethyl)-1,2-dimethylpyrrolidine.

Molecular Properties

Compound Name(2S,3S)-3-(methoxymethyl)-1,2-dimethylpyrrolidine
PubChem CID143529669
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2S,3S)-3-(methoxymethyl)-1,2-dimethylpyrrolidine
SMILESCOC[C@H]1CCN(C)[C@H]1C
InChIInChI=1S/C8H17NO/c1-7-8(6-10-3)4-5-9(7)2/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyZXTZUEZFQXQINC-JGVFFNPUSA-N
XLogP0.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-(1-fluoroethoxymethyl)-1,2-dimethylpyrrolidine
CID 129108293
(2R)-4-(1-fluoroethoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine
CID 139476962
3-Fluoro-3-(methoxymethyl)-1-propan-2-ylpyrrolidine
CID 147525501
(2R)-4-(difluoromethoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine
CID 147978896
3-Fluoro-3-(methoxymethyl)-1-(3-methylcyclopentyl)pyrrolidine
CID 154971742
(2R)-4-(difluoromethoxymethyl)-1-ethyl-2-methylpyrrolidine
CID 163703075
(2R,4S)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine
CID 176631993
(2R,4R)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine
CID 176632082
(3R,4R)-3-ethyl-4-fluoro-1-(oxan-4-yl)pyrrolidine
CID 178006060
2-(Fluoromethyl)-1-(oxolan-3-ylmethyl)pyrrolidine
CID 130641009
4-(Difluoromethoxymethyl)-1-ethyl-2-methylpyrrolidine
CID 162564027
N,N-diethyl-3-(methoxymethyl)pentan-1-amine
CID 20714790

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(methoxymethyl)-1,2-dimethylpyrrolidine?
The IUPAC name of (2S,3S)-3-(methoxymethyl)-1,2-dimethylpyrrolidine (CID 143529669) is (2S,3S)-3-(methoxymethyl)-1,2-dimethylpyrrolidine.
What is the SMILES notation for (2S,3S)-3-(methoxymethyl)-1,2-dimethylpyrrolidine?
The canonical SMILES for (2S,3S)-3-(methoxymethyl)-1,2-dimethylpyrrolidine is COC[C@H]1CCN(C)[C@H]1C.
What is the InChIKey of (2S,3S)-3-(methoxymethyl)-1,2-dimethylpyrrolidine?
The InChIKey is ZXTZUEZFQXQINC-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17NO/c1-7-8(6-10-3)4-5-9(7)2/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of (2S,3S)-3-(methoxymethyl)-1,2-dimethylpyrrolidine?
(2S,3S)-3-(methoxymethyl)-1,2-dimethylpyrrolidine has a molecular weight of 143.23 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(methoxymethyl)-1,2-dimethylpyrrolidine is sourced from PubChem (CID 143529669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).