(1-acetyloxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium

C11H21N2O5+ — CID 90390366

IUPAC(1-acetyloxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium
SMILESCO[N+](=O)OC1CC(C)(C)N(OC(C)=O)C1(C)C
InChIInChI=1S/C11H21N2O5/c1-8(14)17-12-10(2,3)7-9(11(12,4)5)18-13(15)16-6/h9H,7H2,1-6H3/q+1
InChIKeyFGNDZGZBUWDOMA-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.37
Rot. Bonds4

About (1-acetyloxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium

(1-acetyloxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium (PubChem CID 90390366) has the molecular formula C11H21N2O5+ and a molecular weight of 261.30 g/mol. Its IUPAC name is (1-acetyloxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium.

Molecular Properties

Compound Name(1-acetyloxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium
PubChem CID90390366
Molecular FormulaC11H21N2O5+
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC Name(1-acetyloxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium
SMILESCO[N+](=O)OC1CC(C)(C)N(OC(C)=O)C1(C)C
InChIInChI=1S/C11H21N2O5/c1-8(14)17-12-10(2,3)7-9(11(12,4)5)18-13(15)16-6/h9H,7H2,1-6H3/q+1
InChIKeyFGNDZGZBUWDOMA-UHFFFAOYSA-N
XLogP1.37
TPSA68.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1-acetyloxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-acetyloxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium?
The IUPAC name of (1-acetyloxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium (CID 90390366) is (1-acetyloxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium.
What is the SMILES notation for (1-acetyloxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium?
The canonical SMILES for (1-acetyloxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium is CO[N+](=O)OC1CC(C)(C)N(OC(C)=O)C1(C)C.
What is the InChIKey of (1-acetyloxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium?
The InChIKey is FGNDZGZBUWDOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2O5/c1-8(14)17-12-10(2,3)7-9(11(12,4)5)18-13(15)16-6/h9H,7H2,1-6H3/q+1.
What are the key properties of (1-acetyloxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium?
(1-acetyloxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium has a molecular weight of 261.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyloxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium is sourced from PubChem (CID 90390366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).