[(2R,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone

C15H20N2O3 — CID 124786378

IUPAC[(2R,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CC[C@@H](O)[C@H]1Cc1ccncc1
InChIInChI=1S/C15H20N2O3/c18-13-5-8-17(15(19)14-2-1-9-20-14)12(13)10-11-3-6-16-7-4-11/h3-4,6-7,12-14,18H,1-2,5,8-10H2/t12-,13-,14+/m1/s1
InChIKeyUEKVBOZTMDZWRF-MCIONIFRSA-N
MW276.34 g/mol
LogP0.76
Rot. Bonds3

About [(2R,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone

[(2R,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 124786378) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is [(2R,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[(2R,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID124786378
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name[(2R,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CC[C@@H](O)[C@H]1Cc1ccncc1
InChIInChI=1S/C15H20N2O3/c18-13-5-8-17(15(19)14-2-1-9-20-14)12(13)10-11-3-6-16-7-4-11/h3-4,6-7,12-14,18H,1-2,5,8-10H2/t12-,13-,14+/m1/s1
InChIKeyUEKVBOZTMDZWRF-MCIONIFRSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone with MolForge

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Related Compounds

cyclopropyl-[(2S,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 97470356
1-[(2S,3S)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 155875837
(2-fluorophenyl)-[(2S,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 97391924
(2S)-N-methyl-1-[(2R)-oxolane-2-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 124546406
(2S)-N-methyl-1-[(2S)-oxolane-2-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 124546404
1-[(2S,3S)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 97470784
2-[(2S)-1-[(2R)-oxolane-2-carbonyl]piperidin-2-yl]-7-(pyridin-4-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137090399
[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 97470540
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 102737927
[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136580768
[(2S)-oxolan-2-yl]-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95821620
[1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 91838125

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [(2R,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone (CID 124786378) is [(2R,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [(2R,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [(2R,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone is O=C([C@@H]1CCCO1)N1CC[C@@H](O)[C@H]1Cc1ccncc1.
What is the InChIKey of [(2R,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is UEKVBOZTMDZWRF-MCIONIFRSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-13-5-8-17(15(19)14-2-1-9-20-14)12(13)10-11-3-6-16-7-4-11/h3-4,6-7,12-14,18H,1-2,5,8-10H2/t12-,13-,14+/m1/s1.
What are the key properties of [(2R,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone?
[(2R,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone has a molecular weight of 276.34 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 124786378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).