(2S,4R)-4-(2-methoxyethoxy)-2-methylpyrrolidine

C8H17NO2 — CID 99994836

IUPAC(2S,4R)-4-(2-methoxyethoxy)-2-methylpyrrolidine
SMILESCOCCO[C@H]1CN[C@@H](C)C1
InChIInChI=1S/C8H17NO2/c1-7-5-8(6-9-7)11-4-3-10-2/h7-9H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyAUUMTOXCFLVOBA-JGVFFNPUSA-N
MW159.23 g/mol
LogP0.40
Rot. Bonds4

About (2S,4R)-4-(2-methoxyethoxy)-2-methylpyrrolidine

(2S,4R)-4-(2-methoxyethoxy)-2-methylpyrrolidine (PubChem CID 99994836) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2S,4R)-4-(2-methoxyethoxy)-2-methylpyrrolidine.

Molecular Properties

Compound Name(2S,4R)-4-(2-methoxyethoxy)-2-methylpyrrolidine
PubChem CID99994836
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2S,4R)-4-(2-methoxyethoxy)-2-methylpyrrolidine
SMILESCOCCO[C@H]1CN[C@@H](C)C1
InChIInChI=1S/C8H17NO2/c1-7-5-8(6-9-7)11-4-3-10-2/h7-9H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyAUUMTOXCFLVOBA-JGVFFNPUSA-N
XLogP0.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-Methoxyethoxy)pyrrolidine hydrochloride
CID 53413900
(3S)-3-(2-ethoxyethoxy)pyrrolidine hydrochloride
CID 71756910
(2S,4R)-4-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 57326560
3-(2-Methoxyethoxy)pyrrolidine
CID 18337162
(2S,4S)-4-fluoro-2-(2-methoxyethoxymethyl)pyrrolidine
CID 126506547
4-Fluoro-2-(2-methoxyethoxymethyl)pyrrolidine
CID 126542737
(4R)-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 169009465
4-Fluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 172328264
(2S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 57326559
(2S,4R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine
CID 57326561
(2R,4S)-4-(2-fluoroethoxy)-2-methylpyrrolidine
CID 99994974
(2S,4S)-4-(2-fluoroethoxy)-2-methylpyrrolidine
CID 99994975

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(2-methoxyethoxy)-2-methylpyrrolidine?
The IUPAC name of (2S,4R)-4-(2-methoxyethoxy)-2-methylpyrrolidine (CID 99994836) is (2S,4R)-4-(2-methoxyethoxy)-2-methylpyrrolidine.
What is the SMILES notation for (2S,4R)-4-(2-methoxyethoxy)-2-methylpyrrolidine?
The canonical SMILES for (2S,4R)-4-(2-methoxyethoxy)-2-methylpyrrolidine is COCCO[C@H]1CN[C@@H](C)C1.
What is the InChIKey of (2S,4R)-4-(2-methoxyethoxy)-2-methylpyrrolidine?
The InChIKey is AUUMTOXCFLVOBA-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7-5-8(6-9-7)11-4-3-10-2/h7-9H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (2S,4R)-4-(2-methoxyethoxy)-2-methylpyrrolidine?
(2S,4R)-4-(2-methoxyethoxy)-2-methylpyrrolidine has a molecular weight of 159.23 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(2-methoxyethoxy)-2-methylpyrrolidine is sourced from PubChem (CID 99994836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).