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

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

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

Launch Full Analysis

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).