amino-(2-methoxy-2-oxoethyl)-dimethylazanium

C5H13N2O2+ — CID 20676017

IUPACamino-(2-methoxy-2-oxoethyl)-dimethylazanium
SMILESCOC(=O)C[N+](C)(C)N
InChIInChI=1S/C5H13N2O2/c1-7(2,6)4-5(8)9-3/h4,6H2,1-3H3/q+1
InChIKeyRIAWIVSQOYJYFZ-UHFFFAOYSA-N
MW133.17 g/mol
LogP-0.89
Rot. Bonds2

About amino-(2-methoxy-2-oxoethyl)-dimethylazanium

amino-(2-methoxy-2-oxoethyl)-dimethylazanium (PubChem CID 20676017) has the molecular formula C5H13N2O2+ and a molecular weight of 133.17 g/mol. Its IUPAC name is amino-(2-methoxy-2-oxoethyl)-dimethylazanium.

Molecular Properties

Compound Nameamino-(2-methoxy-2-oxoethyl)-dimethylazanium
PubChem CID20676017
Molecular FormulaC5H13N2O2+
Molecular Weight133.17 g/mol
Exact Mass133.10
IUPAC Nameamino-(2-methoxy-2-oxoethyl)-dimethylazanium
SMILESCOC(=O)C[N+](C)(C)N
InChIInChI=1S/C5H13N2O2/c1-7(2,6)4-5(8)9-3/h4,6H2,1-3H3/q+1
InChIKeyRIAWIVSQOYJYFZ-UHFFFAOYSA-N
XLogP-0.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Glycine, N-methyl-N-nitroso-, methyl ester
CID 12222423
O-acetyl-N-amino-N,N-dimethylaminoethanol
CID 135118
Hydrazinium, 1-(carboxymethyl)-1,1-dimethyl-, inner salt
CID 2349379
1,1-Dimethyl-1-ethoxycarbonylmethylhydrazinium bromide
CID 129750720
Amino-(carboxymethyl)-dimethylazanium
CID 2349380
Methyl 2-[amino-(2-methoxy-2-oxoethyl)amino]acetate
CID 4374741
Ethyl 2-[methyl(methylamino)amino]acetate
CID 10606882
Methyl 2-[amino(propan-2-yl)amino]acetate
CID 11829589
Ethyl 2-[amino(ethyl)amino]acetate
CID 17878900
Ethyl 2-(1-methylhydrazinyl)acetate
CID 20288078
Amino-(1-methoxy-1-oxopropan-2-yl)-dimethylazanium
CID 20676008
Methyl 2-[amino(methyl)amino]propanoate
CID 20676051

Frequently Asked Questions

What is the IUPAC name of amino-(2-methoxy-2-oxoethyl)-dimethylazanium?
The IUPAC name of amino-(2-methoxy-2-oxoethyl)-dimethylazanium (CID 20676017) is amino-(2-methoxy-2-oxoethyl)-dimethylazanium.
What is the SMILES notation for amino-(2-methoxy-2-oxoethyl)-dimethylazanium?
The canonical SMILES for amino-(2-methoxy-2-oxoethyl)-dimethylazanium is COC(=O)C[N+](C)(C)N.
What is the InChIKey of amino-(2-methoxy-2-oxoethyl)-dimethylazanium?
The InChIKey is RIAWIVSQOYJYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N2O2/c1-7(2,6)4-5(8)9-3/h4,6H2,1-3H3/q+1.
What are the key properties of amino-(2-methoxy-2-oxoethyl)-dimethylazanium?
amino-(2-methoxy-2-oxoethyl)-dimethylazanium has a molecular weight of 133.17 g/mol, XLogP of -0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(2-methoxy-2-oxoethyl)-dimethylazanium is sourced from PubChem (CID 20676017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).