(2S)-2-ethyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole

C13H24N2O2 — CID 102375984

IUPAC(2S)-2-ethyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole
SMILESCC[C@H]1C(OC)=CCN1N1CCC[C@H]1COC
InChIInChI=1S/C13H24N2O2/c1-4-12-13(17-3)7-9-15(12)14-8-5-6-11(14)10-16-2/h7,11-12H,4-6,8-10H2,1-3H3/t11-,12-/m0/s1
InChIKeyGQBZVQAWYAUFGW-RYUDHWBXSA-N
MW240.35 g/mol
LogP1.64
Rot. Bonds5

About (2S)-2-ethyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole

(2S)-2-ethyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole (PubChem CID 102375984) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2S)-2-ethyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole.

Molecular Properties

Compound Name(2S)-2-ethyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole
PubChem CID102375984
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2S)-2-ethyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole
SMILESCC[C@H]1C(OC)=CCN1N1CCC[C@H]1COC
InChIInChI=1S/C13H24N2O2/c1-4-12-13(17-3)7-9-15(12)14-8-5-6-11(14)10-16-2/h7,11-12H,4-6,8-10H2,1-3H3/t11-,12-/m0/s1
InChIKeyGQBZVQAWYAUFGW-RYUDHWBXSA-N
XLogP1.64
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-propan-2-yl-2,5-dihydropyrrole
CID 102375985
(2S)-2-[(E)-1-cyclopentyloxyprop-1-enyl]-1-ethylpyrrolidine
CID 143664316
(2S)-2-tert-butyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole
CID 15472640
(2S)-2-(cyclopenten-1-yloxymethyl)-1-methylpyrrolidine
CID 102396130

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole?
The IUPAC name of (2S)-2-ethyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole (CID 102375984) is (2S)-2-ethyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole.
What is the SMILES notation for (2S)-2-ethyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole?
The canonical SMILES for (2S)-2-ethyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole is CC[C@H]1C(OC)=CCN1N1CCC[C@H]1COC.
What is the InChIKey of (2S)-2-ethyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole?
The InChIKey is GQBZVQAWYAUFGW-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-12-13(17-3)7-9-15(12)14-8-5-6-11(14)10-16-2/h7,11-12H,4-6,8-10H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of (2S)-2-ethyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole?
(2S)-2-ethyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole has a molecular weight of 240.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole is sourced from PubChem (CID 102375984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).