(2S,4R)-4-ethoxy-2-(ethoxymethyl)-1-methylpyrrolidine

C10H21NO2 — CID 88977159

IUPAC(2S,4R)-4-ethoxy-2-(ethoxymethyl)-1-methylpyrrolidine
SMILESCCOC[C@@H]1C[C@@H](OCC)CN1C
InChIInChI=1S/C10H21NO2/c1-4-12-8-9-6-10(13-5-2)7-11(9)3/h9-10H,4-8H2,1-3H3/t9-,10+/m0/s1
InChIKeyIQEYUWYQLAYSNC-VHSXEESVSA-N
MW187.28 g/mol
LogP1.13
Rot. Bonds5

About (2S,4R)-4-ethoxy-2-(ethoxymethyl)-1-methylpyrrolidine

(2S,4R)-4-ethoxy-2-(ethoxymethyl)-1-methylpyrrolidine (PubChem CID 88977159) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (2S,4R)-4-ethoxy-2-(ethoxymethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S,4R)-4-ethoxy-2-(ethoxymethyl)-1-methylpyrrolidine
PubChem CID88977159
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(2S,4R)-4-ethoxy-2-(ethoxymethyl)-1-methylpyrrolidine
SMILESCCOC[C@@H]1C[C@@H](OCC)CN1C
InChIInChI=1S/C10H21NO2/c1-4-12-8-9-6-10(13-5-2)7-11(9)3/h9-10H,4-8H2,1-3H3/t9-,10+/m0/s1
InChIKeyIQEYUWYQLAYSNC-VHSXEESVSA-N
XLogP1.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-ethoxy-2-(ethoxymethyl)-1-methylpyrrolidine?
The IUPAC name of (2S,4R)-4-ethoxy-2-(ethoxymethyl)-1-methylpyrrolidine (CID 88977159) is (2S,4R)-4-ethoxy-2-(ethoxymethyl)-1-methylpyrrolidine.
What is the SMILES notation for (2S,4R)-4-ethoxy-2-(ethoxymethyl)-1-methylpyrrolidine?
The canonical SMILES for (2S,4R)-4-ethoxy-2-(ethoxymethyl)-1-methylpyrrolidine is CCOC[C@@H]1C[C@@H](OCC)CN1C.
What is the InChIKey of (2S,4R)-4-ethoxy-2-(ethoxymethyl)-1-methylpyrrolidine?
The InChIKey is IQEYUWYQLAYSNC-VHSXEESVSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-12-8-9-6-10(13-5-2)7-11(9)3/h9-10H,4-8H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (2S,4R)-4-ethoxy-2-(ethoxymethyl)-1-methylpyrrolidine?
(2S,4R)-4-ethoxy-2-(ethoxymethyl)-1-methylpyrrolidine has a molecular weight of 187.28 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-ethoxy-2-(ethoxymethyl)-1-methylpyrrolidine is sourced from PubChem (CID 88977159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).