(2R)-2-(methoxymethyl)-1-[2-methyl-4-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methoxy]butyl]pyrrolidine

C20H40N2O2 — CID 146250562

IUPAC(2R)-2-(methoxymethyl)-1-[2-methyl-4-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methoxy]butyl]pyrrolidine
SMILESCOC[C@H]1CCCN1CC(C)CCOC[C@@H]1CCCN1CC(C)C
InChIInChI=1S/C20H40N2O2/c1-17(2)13-21-10-6-8-20(21)16-24-12-9-18(3)14-22-11-5-7-19(22)15-23-4/h17-20H,5-16H2,1-4H3/t18?,19-,20+/m1/s1
InChIKeyXTPOVFLYJKJWCS-HUSUDBNBSA-N
MW340.55 g/mol
LogP3.26
Rot. Bonds11

About (2R)-2-(methoxymethyl)-1-[2-methyl-4-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methoxy]butyl]pyrrolidine

(2R)-2-(methoxymethyl)-1-[2-methyl-4-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methoxy]butyl]pyrrolidine (PubChem CID 146250562) has the molecular formula C20H40N2O2 and a molecular weight of 340.55 g/mol. Its IUPAC name is (2R)-2-(methoxymethyl)-1-[2-methyl-4-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methoxy]butyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(methoxymethyl)-1-[2-methyl-4-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methoxy]butyl]pyrrolidine
PubChem CID146250562
Molecular FormulaC20H40N2O2
Molecular Weight340.55 g/mol
Exact Mass340.31
IUPAC Name(2R)-2-(methoxymethyl)-1-[2-methyl-4-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methoxy]butyl]pyrrolidine
SMILESCOC[C@H]1CCCN1CC(C)CCOC[C@@H]1CCCN1CC(C)C
InChIInChI=1S/C20H40N2O2/c1-17(2)13-21-10-6-8-20(21)16-24-12-9-18(3)14-22-11-5-7-19(22)15-23-4/h17-20H,5-16H2,1-4H3/t18?,19-,20+/m1/s1
InChIKeyXTPOVFLYJKJWCS-HUSUDBNBSA-N
XLogP3.26
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methoxymethyl)-1-[2-methyl-4-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methoxy]butyl]pyrrolidine?
The IUPAC name of (2R)-2-(methoxymethyl)-1-[2-methyl-4-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methoxy]butyl]pyrrolidine (CID 146250562) is (2R)-2-(methoxymethyl)-1-[2-methyl-4-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methoxy]butyl]pyrrolidine.
What is the SMILES notation for (2R)-2-(methoxymethyl)-1-[2-methyl-4-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methoxy]butyl]pyrrolidine?
The canonical SMILES for (2R)-2-(methoxymethyl)-1-[2-methyl-4-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methoxy]butyl]pyrrolidine is COC[C@H]1CCCN1CC(C)CCOC[C@@H]1CCCN1CC(C)C.
What is the InChIKey of (2R)-2-(methoxymethyl)-1-[2-methyl-4-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methoxy]butyl]pyrrolidine?
The InChIKey is XTPOVFLYJKJWCS-HUSUDBNBSA-N. The full InChI is InChI=1S/C20H40N2O2/c1-17(2)13-21-10-6-8-20(21)16-24-12-9-18(3)14-22-11-5-7-19(22)15-23-4/h17-20H,5-16H2,1-4H3/t18?,19-,20+/m1/s1.
What are the key properties of (2R)-2-(methoxymethyl)-1-[2-methyl-4-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methoxy]butyl]pyrrolidine?
(2R)-2-(methoxymethyl)-1-[2-methyl-4-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methoxy]butyl]pyrrolidine has a molecular weight of 340.55 g/mol, XLogP of 3.26, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methoxymethyl)-1-[2-methyl-4-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methoxy]butyl]pyrrolidine is sourced from PubChem (CID 146250562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).