2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate

C10H21NO6S — CID 173011820

IUPAC2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate
SMILESC=C(C)C(=O)OCCN(C)C.CCOS(=O)(=O)O
InChIInChI=1S/C8H15NO2.C2H6O4S/c1-7(2)8(10)11-6-5-9(3)4;1-2-6-7(3,4)5/h1,5-6H2,2-4H3;2H2,1H3,(H,3,4,5)
InChIKeyOPBKZHQTLQYZHI-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.49
Rot. Bonds6

About 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate

2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate (PubChem CID 173011820) has the molecular formula C10H21NO6S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate
PubChem CID173011820
Molecular FormulaC10H21NO6S
Molecular Weight283.35 g/mol
Exact Mass283.11
IUPAC Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate
SMILESC=C(C)C(=O)OCCN(C)C.CCOS(=O)(=O)O
InChIInChI=1S/C8H15NO2.C2H6O4S/c1-7(2)8(10)11-6-5-9(3)4;1-2-6-7(3,4)5/h1,5-6H2,2-4H3;2H2,1H3,(H,3,4,5)
InChIKeyOPBKZHQTLQYZHI-UHFFFAOYSA-N
XLogP0.49
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate
CID 131725052
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide
CID 175228289
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl 2-hydroxyprop-2-enoate
CID 174893121
butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 87280234
2-(diethylamino)ethyl 2-methylprop-2-enoate;diethyl sulfate
CID 162214981
butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 19967472
2-(dimethylamino)ethyl hydrogen sulfate;2-methylprop-2-enoic acid
CID 158681653
CID 87705635
CID 87705635
[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659289
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 159218034

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate?
The IUPAC name of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate (CID 173011820) is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate is C=C(C)C(=O)OCCN(C)C.CCOS(=O)(=O)O.
What is the InChIKey of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate?
The InChIKey is OPBKZHQTLQYZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C2H6O4S/c1-7(2)8(10)11-6-5-9(3)4;1-2-6-7(3,4)5/h1,5-6H2,2-4H3;2H2,1H3,(H,3,4,5).
What are the key properties of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate?
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate has a molecular weight of 283.35 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate is sourced from PubChem (CID 173011820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).