1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-pyridin-3-yloxyethanone

C13H18N2O4 — CID 133264687

IUPAC1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
SMILESCCO[C@@H]1CN(C(=O)COc2cccnc2)C[C@H]1O
InChIInChI=1S/C13H18N2O4/c1-2-18-12-8-15(7-11(12)16)13(17)9-19-10-4-3-5-14-6-10/h3-6,11-12,16H,2,7-9H2,1H3/t11-,12-/m1/s1
InChIKeyOMTJCTGYUDSWRK-VXGBXAGGSA-N
MW266.30 g/mol
LogP0.07
Rot. Bonds5

About 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-pyridin-3-yloxyethanone

1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-pyridin-3-yloxyethanone (PubChem CID 133264687) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-pyridin-3-yloxyethanone.

Molecular Properties

Compound Name1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
PubChem CID133264687
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
SMILESCCO[C@@H]1CN(C(=O)COc2cccnc2)C[C@H]1O
InChIInChI=1S/C13H18N2O4/c1-2-18-12-8-15(7-11(12)16)13(17)9-19-10-4-3-5-14-6-10/h3-6,11-12,16H,2,7-9H2,1H3/t11-,12-/m1/s1
InChIKeyOMTJCTGYUDSWRK-VXGBXAGGSA-N
XLogP0.07
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)-2-pyridin-3-yloxyethanone
CID 110487906
[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 91771542
1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid
CID 119353905
1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-2-pyridin-3-yloxyethanone
CID 56742518
1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 133267825
1-[(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-phenoxyethanone
CID 110131214
2-chloro-1-(3-ethoxy-4-hydroxypyrrolidin-1-yl)ethanone
CID 121203887
4-benzyl-3-ethyl-1-(2-pyridin-3-yloxyacetyl)-1,4-diazepan-5-one
CID 56874579
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone
CID 120818044
2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255663
1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 133265851
1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 110105772

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-pyridin-3-yloxyethanone?
The IUPAC name of 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-pyridin-3-yloxyethanone (CID 133264687) is 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-pyridin-3-yloxyethanone.
What is the SMILES notation for 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-pyridin-3-yloxyethanone?
The canonical SMILES for 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-pyridin-3-yloxyethanone is CCO[C@@H]1CN(C(=O)COc2cccnc2)C[C@H]1O.
What is the InChIKey of 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-pyridin-3-yloxyethanone?
The InChIKey is OMTJCTGYUDSWRK-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-2-18-12-8-15(7-11(12)16)13(17)9-19-10-4-3-5-14-6-10/h3-6,11-12,16H,2,7-9H2,1H3/t11-,12-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-pyridin-3-yloxyethanone?
1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-pyridin-3-yloxyethanone has a molecular weight of 266.30 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-pyridin-3-yloxyethanone is sourced from PubChem (CID 133264687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).