2-ethoxy-1-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]ethanone

C14H20N2O3 — CID 110203331

IUPAC2-ethoxy-1-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]ethanone
SMILESCCOCC(=O)N1C[C@@H](CO)[C@H](c2ccccn2)C1
InChIInChI=1S/C14H20N2O3/c1-2-19-10-14(18)16-7-11(9-17)12(8-16)13-5-3-4-6-15-13/h3-6,11-12,17H,2,7-10H2,1H3/t11-,12+/m0/s1
InChIKeyRMGGKRLFBCYRIO-NWDGAFQWSA-N
MW264.32 g/mol
LogP0.65
Rot. Bonds5

About 2-ethoxy-1-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]ethanone

2-ethoxy-1-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]ethanone (PubChem CID 110203331) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-ethoxy-1-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]ethanone
PubChem CID110203331
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-ethoxy-1-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]ethanone
SMILESCCOCC(=O)N1C[C@@H](CO)[C@H](c2ccccn2)C1
InChIInChI=1S/C14H20N2O3/c1-2-19-10-14(18)16-7-11(9-17)12(8-16)13-5-3-4-6-15-13/h3-6,11-12,17H,2,7-10H2,1H3/t11-,12+/m0/s1
InChIKeyRMGGKRLFBCYRIO-NWDGAFQWSA-N
XLogP0.65
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethylphenyl)-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 110203371
[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 110203319
2-[[1-(2-cyclopentylacetyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]-N-methylacetamide
CID 156611551
[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 110203400
(2-chloro-5-fluorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 110203332
[3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 156611412
1-[(3R,3aR,6aR)-3-[(pyridin-2-ylamino)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-ethoxyethanone
CID 124826145
2-ethoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798598
[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(1H-indol-4-yl)methanone
CID 110203307
(3aS,6aR)-2-(2-ethoxyacetyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97413126
2-[[1-(cycloheptanecarbonyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]acetamide
CID 156611555
trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate
CID 66837013

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]ethanone (CID 110203331) is 2-ethoxy-1-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]ethanone is CCOCC(=O)N1C[C@@H](CO)[C@H](c2ccccn2)C1.
What is the InChIKey of 2-ethoxy-1-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]ethanone?
The InChIKey is RMGGKRLFBCYRIO-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-19-10-14(18)16-7-11(9-17)12(8-16)13-5-3-4-6-15-13/h3-6,11-12,17H,2,7-10H2,1H3/t11-,12+/m0/s1.
What are the key properties of 2-ethoxy-1-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]ethanone?
2-ethoxy-1-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]ethanone has a molecular weight of 264.32 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110203331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).