dimethylazanium;2-(trimethylazaniumyl)acetate

C7H19N2O2+ — CID 22558275

IUPACdimethylazanium;2-(trimethylazaniumyl)acetate
SMILESC[N+](C)(C)CC(=O)[O-].C[NH2+]C
InChIInChI=1S/C5H11NO2.C2H7N/c1-6(2,3)4-5(7)8;1-3-2/h4H2,1-3H3;3H,1-2H3/p+1
InChIKeyGHQUPYSMGYSTJT-UHFFFAOYSA-O
MW163.24 g/mol
LogP-2.75
Rot. Bonds2

About dimethylazanium;2-(trimethylazaniumyl)acetate

dimethylazanium;2-(trimethylazaniumyl)acetate (PubChem CID 22558275) has the molecular formula C7H19N2O2+ and a molecular weight of 163.24 g/mol. Its IUPAC name is dimethylazanium;2-(trimethylazaniumyl)acetate.

Molecular Properties

Compound Namedimethylazanium;2-(trimethylazaniumyl)acetate
PubChem CID22558275
Molecular FormulaC7H19N2O2+
Molecular Weight163.24 g/mol
Exact Mass163.14
IUPAC Namedimethylazanium;2-(trimethylazaniumyl)acetate
SMILESC[N+](C)(C)CC(=O)[O-].C[NH2+]C
InChIInChI=1S/C5H11NO2.C2H7N/c1-6(2,3)4-5(7)8;1-3-2/h4H2,1-3H3;3H,1-2H3/p+1
InChIKeyGHQUPYSMGYSTJT-UHFFFAOYSA-O
XLogP-2.75
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-2.75
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 dimethylazanium;2-(trimethylazaniumyl)acetate?
The IUPAC name of dimethylazanium;2-(trimethylazaniumyl)acetate (CID 22558275) is dimethylazanium;2-(trimethylazaniumyl)acetate.
What is the SMILES notation for dimethylazanium;2-(trimethylazaniumyl)acetate?
The canonical SMILES for dimethylazanium;2-(trimethylazaniumyl)acetate is C[N+](C)(C)CC(=O)[O-].C[NH2+]C.
What is the InChIKey of dimethylazanium;2-(trimethylazaniumyl)acetate?
The InChIKey is GHQUPYSMGYSTJT-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11NO2.C2H7N/c1-6(2,3)4-5(7)8;1-3-2/h4H2,1-3H3;3H,1-2H3/p+1.
What are the key properties of dimethylazanium;2-(trimethylazaniumyl)acetate?
dimethylazanium;2-(trimethylazaniumyl)acetate has a molecular weight of 163.24 g/mol, XLogP of -2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanium;2-(trimethylazaniumyl)acetate is sourced from PubChem (CID 22558275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).