ethyl-(2-methoxy-2-oxoethyl)-methyl-(2-prop-2-enoyloxyethyl)azanium

C11H20NO4+ — CID 145223428

IUPACethyl-(2-methoxy-2-oxoethyl)-methyl-(2-prop-2-enoyloxyethyl)azanium
SMILESC=CC(=O)OCC[N+](C)(CC)CC(=O)OC
InChIInChI=1S/C11H20NO4/c1-5-10(13)16-8-7-12(3,6-2)9-11(14)15-4/h5H,1,6-9H2,2-4H3/q+1
InChIKeyUBNUJOQUBCRKEU-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.36
Rot. Bonds7

About ethyl-(2-methoxy-2-oxoethyl)-methyl-(2-prop-2-enoyloxyethyl)azanium

ethyl-(2-methoxy-2-oxoethyl)-methyl-(2-prop-2-enoyloxyethyl)azanium (PubChem CID 145223428) has the molecular formula C11H20NO4+ and a molecular weight of 230.28 g/mol. Its IUPAC name is ethyl-(2-methoxy-2-oxoethyl)-methyl-(2-prop-2-enoyloxyethyl)azanium.

Molecular Properties

Compound Nameethyl-(2-methoxy-2-oxoethyl)-methyl-(2-prop-2-enoyloxyethyl)azanium
PubChem CID145223428
Molecular FormulaC11H20NO4+
Molecular Weight230.28 g/mol
Exact Mass230.14
IUPAC Nameethyl-(2-methoxy-2-oxoethyl)-methyl-(2-prop-2-enoyloxyethyl)azanium
SMILESC=CC(=O)OCC[N+](C)(CC)CC(=O)OC
InChIInChI=1S/C11H20NO4/c1-5-10(13)16-8-7-12(3,6-2)9-11(14)15-4/h5H,1,6-9H2,2-4H3/q+1
InChIKeyUBNUJOQUBCRKEU-UHFFFAOYSA-N
XLogP0.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dodecyl-ethyl-methyl-(2-prop-2-enoyloxyethyl)azanium
CID 141141400
ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide
CID 86070106
diethyl-methyl-(4-prop-2-enoyloxybutyl)azanium
CID 54323618
methyl 3-prop-2-enoyloxypropanoate
CID 14496497
methyl-di(nonyl)-(2-prop-2-enoyloxyethyl)azanium iodide
CID 164853911
azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium;sulfate
CID 172833896
ethoxy-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride
CID 174937508
(4-chlorophenyl)methyl-ethyl-methyl-(2-prop-2-enoyloxyethyl)azanium
CID 141131620
sulfuric acid;trimethyl(2-prop-2-enoyloxyethyl)azanium
CID 87436586
diethyl-propan-2-yl-(2-prop-2-enoyloxyethyl)azanium bromide
CID 141387980
carboxymethyl-dimethyl-(3-prop-2-enoyloxypropyl)azanium
CID 135274057
triethyl(3-prop-2-enoyloxypropyl)azanium iodide
CID 141332057

Frequently Asked Questions

What is the IUPAC name of ethyl-(2-methoxy-2-oxoethyl)-methyl-(2-prop-2-enoyloxyethyl)azanium?
The IUPAC name of ethyl-(2-methoxy-2-oxoethyl)-methyl-(2-prop-2-enoyloxyethyl)azanium (CID 145223428) is ethyl-(2-methoxy-2-oxoethyl)-methyl-(2-prop-2-enoyloxyethyl)azanium.
What is the SMILES notation for ethyl-(2-methoxy-2-oxoethyl)-methyl-(2-prop-2-enoyloxyethyl)azanium?
The canonical SMILES for ethyl-(2-methoxy-2-oxoethyl)-methyl-(2-prop-2-enoyloxyethyl)azanium is C=CC(=O)OCC[N+](C)(CC)CC(=O)OC.
What is the InChIKey of ethyl-(2-methoxy-2-oxoethyl)-methyl-(2-prop-2-enoyloxyethyl)azanium?
The InChIKey is UBNUJOQUBCRKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20NO4/c1-5-10(13)16-8-7-12(3,6-2)9-11(14)15-4/h5H,1,6-9H2,2-4H3/q+1.
What are the key properties of ethyl-(2-methoxy-2-oxoethyl)-methyl-(2-prop-2-enoyloxyethyl)azanium?
ethyl-(2-methoxy-2-oxoethyl)-methyl-(2-prop-2-enoyloxyethyl)azanium has a molecular weight of 230.28 g/mol, XLogP of 0.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(2-methoxy-2-oxoethyl)-methyl-(2-prop-2-enoyloxyethyl)azanium is sourced from PubChem (CID 145223428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).