2-carbamoyloxyethyl(trimethyl)azanium chloride

C6H15ClN2O2 — CID 521353

IUPAC2-carbamoyloxyethyl(trimethyl)azanium chloride
SMILESC[N+](C)(C)CCOC(N)=O.[Cl-]
InChIInChI=1S/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,(H-,7,9);1H
InChIKeyAIXAANGOTKPUOY-UHFFFAOYSA-N
MW182.65 g/mol
LogP-3.21
Rot. Bonds3

About 2-carbamoyloxyethyl(trimethyl)azanium chloride

2-carbamoyloxyethyl(trimethyl)azanium chloride (PubChem CID 521353) has the molecular formula C6H15ClN2O2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 2-carbamoyloxyethyl(trimethyl)azanium chloride.

Molecular Properties

Compound Name2-carbamoyloxyethyl(trimethyl)azanium chloride
PubChem CID521353
Molecular FormulaC6H15ClN2O2
Molecular Weight182.65 g/mol
Exact Mass182.08
IUPAC Name2-carbamoyloxyethyl(trimethyl)azanium chloride
SMILESC[N+](C)(C)CCOC(N)=O.[Cl-]
InChIInChI=1S/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,(H-,7,9);1H
InChIKeyAIXAANGOTKPUOY-UHFFFAOYSA-N
XLogP-3.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 5-3.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-carbamoyloxyethyl(trimethyl)azanium chloride?
The IUPAC name of 2-carbamoyloxyethyl(trimethyl)azanium chloride (CID 521353) is 2-carbamoyloxyethyl(trimethyl)azanium chloride.
What is the SMILES notation for 2-carbamoyloxyethyl(trimethyl)azanium chloride?
The canonical SMILES for 2-carbamoyloxyethyl(trimethyl)azanium chloride is C[N+](C)(C)CCOC(N)=O.[Cl-].
What is the InChIKey of 2-carbamoyloxyethyl(trimethyl)azanium chloride?
The InChIKey is AIXAANGOTKPUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,(H-,7,9);1H.
What are the key properties of 2-carbamoyloxyethyl(trimethyl)azanium chloride?
2-carbamoyloxyethyl(trimethyl)azanium chloride has a molecular weight of 182.65 g/mol, XLogP of -3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyloxyethyl(trimethyl)azanium chloride is sourced from PubChem (CID 521353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).