[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone

C15H20N2O3 — CID 97470540

IUPAC[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
SMILESO=C([C@H]1CCOC1)N1CC[C@H](O)[C@@H]1Cc1cccnc1
InChIInChI=1S/C15H20N2O3/c18-14-3-6-17(15(19)12-4-7-20-10-12)13(14)8-11-2-1-5-16-9-11/h1-2,5,9,12-14,18H,3-4,6-8,10H2/t12-,13-,14-/m0/s1
InChIKeyFXIZNMQFNSHRRJ-IHRRRGAJSA-N
MW276.34 g/mol
LogP0.62
Rot. Bonds3

About [(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone

[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone (PubChem CID 97470540) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is [(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone.

Molecular Properties

Compound Name[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
PubChem CID97470540
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
SMILESO=C([C@H]1CCOC1)N1CC[C@H](O)[C@@H]1Cc1cccnc1
InChIInChI=1S/C15H20N2O3/c18-14-3-6-17(15(19)12-4-7-20-10-12)13(14)8-11-2-1-5-16-9-11/h1-2,5,9,12-14,18H,3-4,6-8,10H2/t12-,13-,14-/m0/s1
InChIKeyFXIZNMQFNSHRRJ-IHRRRGAJSA-N
XLogP0.62
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone with MolForge

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Related Compounds

1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one
CID 105099703
cyclopropyl-[(2S,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 97470356
[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 131685105
[(2S,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 97470175
[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 97470521
1-[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 97470514
[(2S,3R)-2-benzyl-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 97392059
[(3aS,6aS)-1-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-(oxolan-3-yl)methanone
CID 131656647
(2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97470194
2-(3-fluorophenyl)-1-[(2S,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155831230
[(2S,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155843375
furan-2-yl-[(2R,3S)-3-morpholin-4-yl-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 124787611

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone?
The IUPAC name of [(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone (CID 97470540) is [(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone.
What is the SMILES notation for [(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone?
The canonical SMILES for [(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone is O=C([C@H]1CCOC1)N1CC[C@H](O)[C@@H]1Cc1cccnc1.
What is the InChIKey of [(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone?
The InChIKey is FXIZNMQFNSHRRJ-IHRRRGAJSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14-3-6-17(15(19)12-4-7-20-10-12)13(14)8-11-2-1-5-16-9-11/h1-2,5,9,12-14,18H,3-4,6-8,10H2/t12-,13-,14-/m0/s1.
What are the key properties of [(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone?
[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone has a molecular weight of 276.34 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone is sourced from PubChem (CID 97470540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).