dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-methylprop-2-enoate

C12H21NO4 — CID 22403528

IUPACdimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC[NH+](C)C.C=C(C)C(=O)[O-]
InChIInChI=1S/C8H15NO2.C4H6O2/c1-7(2)8(10)11-6-5-9(3)4;1-3(2)4(5)6/h1,5-6H2,2-4H3;1H2,2H3,(H,5,6)
InChIKeyAVPDLWTUGIZJLH-UHFFFAOYSA-N
MW243.30 g/mol
LogP-1.44
Rot. Bonds5

About dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-methylprop-2-enoate

dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-methylprop-2-enoate (PubChem CID 22403528) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-methylprop-2-enoate.

Molecular Properties

Compound Namedimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-methylprop-2-enoate
PubChem CID22403528
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namedimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC[NH+](C)C.C=C(C)C(=O)[O-]
InChIInChI=1S/C8H15NO2.C4H6O2/c1-7(2)8(10)11-6-5-9(3)4;1-3(2)4(5)6/h1,5-6H2,2-4H3;1H2,2H3,(H,5,6)
InChIKeyAVPDLWTUGIZJLH-UHFFFAOYSA-N
XLogP-1.44
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-methylprop-2-enoate?
The IUPAC name of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-methylprop-2-enoate (CID 22403528) is dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-methylprop-2-enoate.
What is the SMILES notation for dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-methylprop-2-enoate?
The canonical SMILES for dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-methylprop-2-enoate is C=C(C)C(=O)OCC[NH+](C)C.C=C(C)C(=O)[O-].
What is the InChIKey of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-methylprop-2-enoate?
The InChIKey is AVPDLWTUGIZJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C4H6O2/c1-7(2)8(10)11-6-5-9(3)4;1-3(2)4(5)6/h1,5-6H2,2-4H3;1H2,2H3,(H,5,6).
What are the key properties of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-methylprop-2-enoate?
dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-methylprop-2-enoate has a molecular weight of 243.30 g/mol, XLogP of -1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-methylprop-2-enoate is sourced from PubChem (CID 22403528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).