azanium 2,2-dimethylbutanoate

C6H15NO2 — CID 90967382

IUPACazanium 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)[O-].[NH4+]
InChIInChI=1S/C6H12O2.H3N/c1-4-6(2,3)5(7)8;/h4H2,1-3H3,(H,7,8);1H3
InChIKeyUAJVGLYJLOVNCW-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.55
Rot. Bonds2

About azanium 2,2-dimethylbutanoate

azanium 2,2-dimethylbutanoate (PubChem CID 90967382) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is azanium 2,2-dimethylbutanoate.

Molecular Properties

Compound Nameazanium 2,2-dimethylbutanoate
PubChem CID90967382
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Nameazanium 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)[O-].[NH4+]
InChIInChI=1S/C6H12O2.H3N/c1-4-6(2,3)5(7)8;/h4H2,1-3H3,(H,7,8);1H3
InChIKeyUAJVGLYJLOVNCW-UHFFFAOYSA-N
XLogP0.55
TPSA76.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze azanium 2,2-dimethylbutanoate with MolForge

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

Launch Full Analysis

Related Compounds

copper bis(2,2-dimethylbutanoate)
CID 158983078
carbanylium;2,2-dimethylbutanoate
CID 157088844
silver 2,2-dimethylpentanoate
CID 121375132
3,3,5,5-tetramethylheptan-4-one
CID 18520351
sodium 3-chloro-2,2-dimethylpropanoate
CID 23670066
copper(1+);2,2-dimethylheptanoate
CID 159491834
2,2-dimethylbutaneperoxoate
CID 171460044
2,2-dimethylbutanoic acid;methane
CID 159782886
tris(2,2-diethylpropanedioate);iron(6+)
CID 158005810
bis(2,2-dimethyloctanoate);tin(2+) dihydride
CID 173040991
bis(2-butanoyl-2-methylpropanedioate);titanium(4+)
CID 175928304
(2S)-2-ethyl-2-methylpentanoate
CID 86306121

Frequently Asked Questions

What is the IUPAC name of azanium 2,2-dimethylbutanoate?
The IUPAC name of azanium 2,2-dimethylbutanoate (CID 90967382) is azanium 2,2-dimethylbutanoate.
What is the SMILES notation for azanium 2,2-dimethylbutanoate?
The canonical SMILES for azanium 2,2-dimethylbutanoate is CCC(C)(C)C(=O)[O-].[NH4+].
What is the InChIKey of azanium 2,2-dimethylbutanoate?
The InChIKey is UAJVGLYJLOVNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.H3N/c1-4-6(2,3)5(7)8;/h4H2,1-3H3,(H,7,8);1H3.
What are the key properties of azanium 2,2-dimethylbutanoate?
azanium 2,2-dimethylbutanoate has a molecular weight of 133.19 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2,2-dimethylbutanoate is sourced from PubChem (CID 90967382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).