[(1R,2R)-2-acetyloxycyclopentyl]-trimethylazanium

C10H20NO2+ — CID 3036739

IUPAC[(1R,2R)-2-acetyloxycyclopentyl]-trimethylazanium
SMILESCC(=O)O[C@@H]1CCC[C@H]1[N+](C)(C)C
InChIInChI=1S/C10H20NO2/c1-8(12)13-10-7-5-6-9(10)11(2,3)4/h9-10H,5-7H2,1-4H3/q+1/t9-,10-/m1/s1
InChIKeyRNRUUSLCGUWBCZ-NXEZZACHSA-N
MW186.27 g/mol
LogP1.18
Rot. Bonds2

About [(1R,2R)-2-acetyloxycyclopentyl]-trimethylazanium

[(1R,2R)-2-acetyloxycyclopentyl]-trimethylazanium (PubChem CID 3036739) has the molecular formula C10H20NO2+ and a molecular weight of 186.27 g/mol. Its IUPAC name is [(1R,2R)-2-acetyloxycyclopentyl]-trimethylazanium.

Molecular Properties

Compound Name[(1R,2R)-2-acetyloxycyclopentyl]-trimethylazanium
PubChem CID3036739
Molecular FormulaC10H20NO2+
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name[(1R,2R)-2-acetyloxycyclopentyl]-trimethylazanium
SMILESCC(=O)O[C@@H]1CCC[C@H]1[N+](C)(C)C
InChIInChI=1S/C10H20NO2/c1-8(12)13-10-7-5-6-9(10)11(2,3)4/h9-10H,5-7H2,1-4H3/q+1/t9-,10-/m1/s1
InChIKeyRNRUUSLCGUWBCZ-NXEZZACHSA-N
XLogP1.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trans-(-)-2-(acetyloxy)-N,N,N-trimethylcyclopentanaminium iodide
CID 155025
(1-Ethylpyrrolidin-2-yl)methyl acetate
CID 53718269
[2-(Dimethylamino)cyclopentyl] formate
CID 57240129
(1R,2R)-2-[(tert-butoxycarbonyl)(methyl)amino]cyclopentyl acetate
CID 58216146
[2-(Dimethylamino)cyclopentyl] acetate
CID 59356687
(1R,2S)-2-methoxy-N,N-dimethylcyclopentan-1-amine
CID 59505096
[2-(Methylamino)cyclopentyl] 2-aminoacetate
CID 59686753
(1R,2R)-2-(methylamino)cyclopentyl acetate hydrochloride
CID 67027306
[(1R,2R)-2-(methylamino)cyclopentyl] acetate
CID 67027307
[2-(Methylamino)cyclopentyl] acetate;hydrochloride
CID 67027308
[2-(Methylamino)cyclopentyl] acetate
CID 67027309
[2-[Methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentyl] acetate
CID 67027399

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-acetyloxycyclopentyl]-trimethylazanium?
The IUPAC name of [(1R,2R)-2-acetyloxycyclopentyl]-trimethylazanium (CID 3036739) is [(1R,2R)-2-acetyloxycyclopentyl]-trimethylazanium.
What is the SMILES notation for [(1R,2R)-2-acetyloxycyclopentyl]-trimethylazanium?
The canonical SMILES for [(1R,2R)-2-acetyloxycyclopentyl]-trimethylazanium is CC(=O)O[C@@H]1CCC[C@H]1[N+](C)(C)C.
What is the InChIKey of [(1R,2R)-2-acetyloxycyclopentyl]-trimethylazanium?
The InChIKey is RNRUUSLCGUWBCZ-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20NO2/c1-8(12)13-10-7-5-6-9(10)11(2,3)4/h9-10H,5-7H2,1-4H3/q+1/t9-,10-/m1/s1.
What are the key properties of [(1R,2R)-2-acetyloxycyclopentyl]-trimethylazanium?
[(1R,2R)-2-acetyloxycyclopentyl]-trimethylazanium has a molecular weight of 186.27 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-acetyloxycyclopentyl]-trimethylazanium is sourced from PubChem (CID 3036739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).