[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

C11H20N2O3 — CID 129414461

IUPAC[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESCO[C@@H]1CN(C(=O)[C@H]2CCCN2)C[C@H]1OC
InChIInChI=1S/C11H20N2O3/c1-15-9-6-13(7-10(9)16-2)11(14)8-4-3-5-12-8/h8-10,12H,3-7H2,1-2H3/t8-,9-,10-/m1/s1
InChIKeyXOMHALVDYCIWBX-OPRDCNLKSA-N
MW228.29 g/mol
LogP-0.39
Rot. Bonds3

About [(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 129414461) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is [(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID129414461
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESCO[C@@H]1CN(C(=O)[C@H]2CCCN2)C[C@H]1OC
InChIInChI=1S/C11H20N2O3/c1-15-9-6-13(7-10(9)16-2)11(14)8-4-3-5-12-8/h8-10,12H,3-7H2,1-2H3/t8-,9-,10-/m1/s1
InChIKeyXOMHALVDYCIWBX-OPRDCNLKSA-N
XLogP-0.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129414458
(3-methoxyazetidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 129362673
(3-methoxy-4-methylpiperidin-1-yl)-piperidin-2-ylmethanone
CID 102957446
(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-piperidin-2-ylmethanone
CID 121202218
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 119326390
[3-(methoxymethyl)-4-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 155905940
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(3-hydroxyazetidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 107217589
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl(piperidin-2-yl)methanone
CID 119326244
(3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 107217621
(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-pyrrolidin-2-ylmethanone
CID 121202172

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of [(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (CID 129414461) is [(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is CO[C@@H]1CN(C(=O)[C@H]2CCCN2)C[C@H]1OC.
What is the InChIKey of [(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is XOMHALVDYCIWBX-OPRDCNLKSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-15-9-6-13(7-10(9)16-2)11(14)8-4-3-5-12-8/h8-10,12H,3-7H2,1-2H3/t8-,9-,10-/m1/s1.
What are the key properties of [(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 228.29 g/mol, XLogP of -0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 129414461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).