2-ethoxy-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone

C12H22N2O3 — CID 110108181

IUPAC2-ethoxy-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone
SMILESCCOCC(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1
InChIInChI=1S/C12H22N2O3/c1-2-17-9-12(16)14-7-10(11(15)8-14)13-5-3-4-6-13/h10-11,15H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyCENRIEWTKWWFRF-GHMZBOCLSA-N
MW242.32 g/mol
LogP-0.31
Rot. Bonds4

About 2-ethoxy-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone

2-ethoxy-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone (PubChem CID 110108181) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-ethoxy-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone
PubChem CID110108181
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-ethoxy-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone
SMILESCCOCC(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1
InChIInChI=1S/C12H22N2O3/c1-2-17-9-12(16)14-7-10(11(15)8-14)13-5-3-4-6-13/h10-11,15H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyCENRIEWTKWWFRF-GHMZBOCLSA-N
XLogP-0.31
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone
CID 110108168
2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114509876
2-ethoxy-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43391718
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone
CID 2163030
1-[(3R,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 97077570
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethoxyethanone
CID 66212770
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone
CID 60637524
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-ethoxyethanone
CID 95358475
1-[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-4-phenoxybutan-1-one
CID 91773834
1-[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 91792162
1-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 133265703
2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958052

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone (CID 110108181) is 2-ethoxy-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone is CCOCC(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1.
What is the InChIKey of 2-ethoxy-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone?
The InChIKey is CENRIEWTKWWFRF-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-17-9-12(16)14-7-10(11(15)8-14)13-5-3-4-6-13/h10-11,15H,2-9H2,1H3/t10-,11-/m1/s1.
What are the key properties of 2-ethoxy-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone?
2-ethoxy-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone has a molecular weight of 242.32 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110108181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).