oxetan-3-yl-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]methanone

C11H19NO3 — CID 121261750

IUPACoxetan-3-yl-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]methanone
SMILESCC(C)O[C@H]1CCN(C(=O)C2COC2)C1
InChIInChI=1S/C11H19NO3/c1-8(2)15-10-3-4-12(5-10)11(13)9-6-14-7-9/h8-10H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyNPBRUBQAIRKNDQ-JTQLQIEISA-N
MW213.28 g/mol
LogP0.66
Rot. Bonds3

About oxetan-3-yl-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]methanone

oxetan-3-yl-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]methanone (PubChem CID 121261750) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is oxetan-3-yl-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Nameoxetan-3-yl-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]methanone
PubChem CID121261750
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameoxetan-3-yl-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]methanone
SMILESCC(C)O[C@H]1CCN(C(=O)C2COC2)C1
InChIInChI=1S/C11H19NO3/c1-8(2)15-10-3-4-12(5-10)11(13)9-6-14-7-9/h8-10H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyNPBRUBQAIRKNDQ-JTQLQIEISA-N
XLogP0.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one
CID 140629108
cyclobutyl-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110725421
(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110725414
2-methylpropyl 4-(4-propan-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate
CID 171072871
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 129357459
3-propan-2-yloxy-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 126752760
(4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
CID 138002316
2-amino-1-(3-propan-2-yloxypiperidin-1-yl)ethanone
CID 84755438
3-oxabicyclo[3.1.0]hexan-6-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 169182669
[4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
CID 112537686
[(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 172646277
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 91627512

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]methanone?
The IUPAC name of oxetan-3-yl-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]methanone (CID 121261750) is oxetan-3-yl-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]methanone.
What is the SMILES notation for oxetan-3-yl-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]methanone?
The canonical SMILES for oxetan-3-yl-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]methanone is CC(C)O[C@H]1CCN(C(=O)C2COC2)C1.
What is the InChIKey of oxetan-3-yl-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]methanone?
The InChIKey is NPBRUBQAIRKNDQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)15-10-3-4-12(5-10)11(13)9-6-14-7-9/h8-10H,3-7H2,1-2H3/t10-/m0/s1.
What are the key properties of oxetan-3-yl-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]methanone?
oxetan-3-yl-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]methanone has a molecular weight of 213.28 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 121261750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).