(2S,3R,4R)-3-(2-methoxyethyl)-2,4-bis(methoxymethyl)pyrrolidine

C11H23NO3 — CID 15330691

IUPAC(2S,3R,4R)-3-(2-methoxyethyl)-2,4-bis(methoxymethyl)pyrrolidine
SMILESCOCC[C@@H]1[C@@H](COC)CN[C@@H]1COC
InChIInChI=1S/C11H23NO3/c1-13-5-4-10-9(7-14-2)6-12-11(10)8-15-3/h9-12H,4-8H2,1-3H3/t9-,10-,11-/m1/s1
InChIKeyJQLWLZQKIXSIHG-GMTAPVOTSA-N
MW217.31 g/mol
LogP0.52
Rot. Bonds7

About (2S,3R,4R)-3-(2-methoxyethyl)-2,4-bis(methoxymethyl)pyrrolidine

(2S,3R,4R)-3-(2-methoxyethyl)-2,4-bis(methoxymethyl)pyrrolidine (PubChem CID 15330691) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is (2S,3R,4R)-3-(2-methoxyethyl)-2,4-bis(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,3R,4R)-3-(2-methoxyethyl)-2,4-bis(methoxymethyl)pyrrolidine
PubChem CID15330691
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name(2S,3R,4R)-3-(2-methoxyethyl)-2,4-bis(methoxymethyl)pyrrolidine
SMILESCOCC[C@@H]1[C@@H](COC)CN[C@@H]1COC
InChIInChI=1S/C11H23NO3/c1-13-5-4-10-9(7-14-2)6-12-11(10)8-15-3/h9-12H,4-8H2,1-3H3/t9-,10-,11-/m1/s1
InChIKeyJQLWLZQKIXSIHG-GMTAPVOTSA-N
XLogP0.52
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-3-(2-methoxyethyl)-2,4-bis(methoxymethyl)pyrrolidine?
The IUPAC name of (2S,3R,4R)-3-(2-methoxyethyl)-2,4-bis(methoxymethyl)pyrrolidine (CID 15330691) is (2S,3R,4R)-3-(2-methoxyethyl)-2,4-bis(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2S,3R,4R)-3-(2-methoxyethyl)-2,4-bis(methoxymethyl)pyrrolidine?
The canonical SMILES for (2S,3R,4R)-3-(2-methoxyethyl)-2,4-bis(methoxymethyl)pyrrolidine is COCC[C@@H]1[C@@H](COC)CN[C@@H]1COC.
What is the InChIKey of (2S,3R,4R)-3-(2-methoxyethyl)-2,4-bis(methoxymethyl)pyrrolidine?
The InChIKey is JQLWLZQKIXSIHG-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H23NO3/c1-13-5-4-10-9(7-14-2)6-12-11(10)8-15-3/h9-12H,4-8H2,1-3H3/t9-,10-,11-/m1/s1.
What are the key properties of (2S,3R,4R)-3-(2-methoxyethyl)-2,4-bis(methoxymethyl)pyrrolidine?
(2S,3R,4R)-3-(2-methoxyethyl)-2,4-bis(methoxymethyl)pyrrolidine has a molecular weight of 217.31 g/mol, XLogP of 0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-3-(2-methoxyethyl)-2,4-bis(methoxymethyl)pyrrolidine is sourced from PubChem (CID 15330691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).