azane;2-(trimethylazaniumyl)acetate

C5H14N2O2 — CID 19995695

IUPACazane;2-(trimethylazaniumyl)acetate
SMILESC[N+](C)(C)CC(=O)[O-].N
InChIInChI=1S/C5H11NO2.H3N/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H3
InChIKeyKHDFBJRSZXCBIC-UHFFFAOYSA-N
MW134.18 g/mol
LogP-1.40
Rot. Bonds2

About azane;2-(trimethylazaniumyl)acetate

azane;2-(trimethylazaniumyl)acetate (PubChem CID 19995695) has the molecular formula C5H14N2O2 and a molecular weight of 134.18 g/mol. Its IUPAC name is azane;2-(trimethylazaniumyl)acetate.

Molecular Properties

Compound Nameazane;2-(trimethylazaniumyl)acetate
PubChem CID19995695
Molecular FormulaC5H14N2O2
Molecular Weight134.18 g/mol
Exact Mass134.11
IUPAC Nameazane;2-(trimethylazaniumyl)acetate
SMILESC[N+](C)(C)CC(=O)[O-].N
InChIInChI=1S/C5H11NO2.H3N/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H3
InChIKeyKHDFBJRSZXCBIC-UHFFFAOYSA-N
XLogP-1.40
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze azane;2-(trimethylazaniumyl)acetate 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

2-[tri((113C)methyl)azaniumyl]acetate
CID 171379439
sulfanium 2-(trimethylazaniumyl)acetate
CID 22046245
formonitrile;2-(trimethylazaniumyl)acetate
CID 173415938
butane;2-(trimethylazaniumyl)acetate
CID 129220851
dimethylazanium;2-(trimethylazaniumyl)acetate
CID 22558275
CID 135390032
CID 135390032
2,2-bis(hydroxymethyl)propane-1,3-diol;2-(trimethylazaniumyl)acetate
CID 19431176
2-amino-2-methylpropanoic acid;2-(trimethylazaniumyl)acetate
CID 155168121
butanoic acid;2-(trimethylazaniumyl)acetate
CID 173357806
hexadecanoate;2-(trimethylazaniumyl)acetate
CID 22242455
2-(dimethylamino)propanoic acid;2-(trimethylazaniumyl)acetate
CID 166644612
2-[carbamoyl(dimethyl)azaniumyl]acetate
CID 87750916

Frequently Asked Questions

What is the IUPAC name of azane;2-(trimethylazaniumyl)acetate?
The IUPAC name of azane;2-(trimethylazaniumyl)acetate (CID 19995695) is azane;2-(trimethylazaniumyl)acetate.
What is the SMILES notation for azane;2-(trimethylazaniumyl)acetate?
The canonical SMILES for azane;2-(trimethylazaniumyl)acetate is C[N+](C)(C)CC(=O)[O-].N.
What is the InChIKey of azane;2-(trimethylazaniumyl)acetate?
The InChIKey is KHDFBJRSZXCBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.H3N/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H3.
What are the key properties of azane;2-(trimethylazaniumyl)acetate?
azane;2-(trimethylazaniumyl)acetate has a molecular weight of 134.18 g/mol, XLogP of -1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(trimethylazaniumyl)acetate is sourced from PubChem (CID 19995695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).