[(3S,4S)-3-(ethoxymethyl)-4-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone

C13H24N2O2 — CID 129499600

IUPAC[(3S,4S)-3-(ethoxymethyl)-4-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
SMILESCCOC[C@@H]1CN(C(=O)[C@H]2CCNC2)C[C@H]1C
InChIInChI=1S/C13H24N2O2/c1-3-17-9-12-8-15(7-10(12)2)13(16)11-4-5-14-6-11/h10-12,14H,3-9H2,1-2H3/t10-,11+,12+/m1/s1
InChIKeyJWAOURSKBFRIHM-WOPDTQHZSA-N
MW240.35 g/mol
LogP0.73
Rot. Bonds4

About [(3S,4S)-3-(ethoxymethyl)-4-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone

[(3S,4S)-3-(ethoxymethyl)-4-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone (PubChem CID 129499600) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [(3S,4S)-3-(ethoxymethyl)-4-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[(3S,4S)-3-(ethoxymethyl)-4-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
PubChem CID129499600
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[(3S,4S)-3-(ethoxymethyl)-4-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
SMILESCCOC[C@@H]1CN(C(=O)[C@H]2CCNC2)C[C@H]1C
InChIInChI=1S/C13H24N2O2/c1-3-17-9-12-8-15(7-10(12)2)13(16)11-4-5-14-6-11/h10-12,14H,3-9H2,1-2H3/t10-,11+,12+/m1/s1
InChIKeyJWAOURSKBFRIHM-WOPDTQHZSA-N
XLogP0.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3S,4S)-3-(ethoxymethyl)-4-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azetidin-3-yl-[3-(methoxymethyl)-4-methylpyrrolidin-1-yl]methanone
CID 121202605
[(3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 129499446
(2,6-dimethylmorpholin-4-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119669803
[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129380230
azetidin-3-yl-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]methanone
CID 121202562
(3,4-dimethoxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
CID 103533146
[4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119843367
[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119341197
[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119880491
3-(ethoxymethyl)-4-methylpiperidine
CID 106780348
3-[(3R,4S)-3-(ethoxymethyl)-4-methylpyrrolidin-1-yl]-3-oxopropanenitrile
CID 129498157
(3-tert-butylazetidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 164785278

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-(ethoxymethyl)-4-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The IUPAC name of [(3S,4S)-3-(ethoxymethyl)-4-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone (CID 129499600) is [(3S,4S)-3-(ethoxymethyl)-4-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone.
What is the SMILES notation for [(3S,4S)-3-(ethoxymethyl)-4-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The canonical SMILES for [(3S,4S)-3-(ethoxymethyl)-4-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone is CCOC[C@@H]1CN(C(=O)[C@H]2CCNC2)C[C@H]1C.
What is the InChIKey of [(3S,4S)-3-(ethoxymethyl)-4-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The InChIKey is JWAOURSKBFRIHM-WOPDTQHZSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-17-9-12-8-15(7-10(12)2)13(16)11-4-5-14-6-11/h10-12,14H,3-9H2,1-2H3/t10-,11+,12+/m1/s1.
What are the key properties of [(3S,4S)-3-(ethoxymethyl)-4-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
[(3S,4S)-3-(ethoxymethyl)-4-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone has a molecular weight of 240.35 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-(ethoxymethyl)-4-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone is sourced from PubChem (CID 129499600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).