2-methyl-2-(trimethylazaniumyl)propanoate

C7H15NO2 — CID 21226528

IUPAC2-methyl-2-(trimethylazaniumyl)propanoate
SMILESCC(C)(C(=O)[O-])[N+](C)(C)C
InChIInChI=1S/C7H15NO2/c1-7(2,6(9)10)8(3,4)5/h1-5H3
InChIKeyOMEQVEUEQOCEHZ-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.78
Rot. Bonds2

About 2-methyl-2-(trimethylazaniumyl)propanoate

2-methyl-2-(trimethylazaniumyl)propanoate (PubChem CID 21226528) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-methyl-2-(trimethylazaniumyl)propanoate.

Molecular Properties

Compound Name2-methyl-2-(trimethylazaniumyl)propanoate
PubChem CID21226528
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-methyl-2-(trimethylazaniumyl)propanoate
SMILESCC(C)(C(=O)[O-])[N+](C)(C)C
InChIInChI=1S/C7H15NO2/c1-7(2,6(9)10)8(3,4)5/h1-5H3
InChIKeyOMEQVEUEQOCEHZ-UHFFFAOYSA-N
XLogP-0.78
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.78
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(trimethylazaniumyl)propanoate?
The IUPAC name of 2-methyl-2-(trimethylazaniumyl)propanoate (CID 21226528) is 2-methyl-2-(trimethylazaniumyl)propanoate.
What is the SMILES notation for 2-methyl-2-(trimethylazaniumyl)propanoate?
The canonical SMILES for 2-methyl-2-(trimethylazaniumyl)propanoate is CC(C)(C(=O)[O-])[N+](C)(C)C.
What is the InChIKey of 2-methyl-2-(trimethylazaniumyl)propanoate?
The InChIKey is OMEQVEUEQOCEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2,6(9)10)8(3,4)5/h1-5H3.
What are the key properties of 2-methyl-2-(trimethylazaniumyl)propanoate?
2-methyl-2-(trimethylazaniumyl)propanoate has a molecular weight of 145.20 g/mol, XLogP of -0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(trimethylazaniumyl)propanoate is sourced from PubChem (CID 21226528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).