2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl 2-hydroxyprop-2-enoate

C13H23NO5 — CID 174893121

IUPAC2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl 2-hydroxyprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C)C.C=C(O)C(=O)OCC
InChIInChI=1S/C8H15NO2.C5H8O3/c1-7(2)8(10)11-6-5-9(3)4;1-3-8-5(7)4(2)6/h1,5-6H2,2-4H3;6H,2-3H2,1H3
InChIKeyCEQLCHKASXTCRT-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.29
Rot. Bonds6

About 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl 2-hydroxyprop-2-enoate

2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl 2-hydroxyprop-2-enoate (PubChem CID 174893121) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl 2-hydroxyprop-2-enoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl 2-hydroxyprop-2-enoate
PubChem CID174893121
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl 2-hydroxyprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C)C.C=C(O)C(=O)OCC
InChIInChI=1S/C8H15NO2.C5H8O3/c1-7(2)8(10)11-6-5-9(3)4;1-3-8-5(7)4(2)6/h1,5-6H2,2-4H3;6H,2-3H2,1H3
InChIKeyCEQLCHKASXTCRT-UHFFFAOYSA-N
XLogP1.29
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl 2-hydroxyprop-2-enoate 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-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate
CID 131725052
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide
CID 175228289
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 19967472
butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 87280234
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate
CID 173011820
[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659289
ethyl 2-methylprop-2-enoate
CID 130475774
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 159218034
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl 2-hydroxyprop-2-enoate?
The IUPAC name of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl 2-hydroxyprop-2-enoate (CID 174893121) is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl 2-hydroxyprop-2-enoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl 2-hydroxyprop-2-enoate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl 2-hydroxyprop-2-enoate is C=C(C)C(=O)OCCN(C)C.C=C(O)C(=O)OCC.
What is the InChIKey of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl 2-hydroxyprop-2-enoate?
The InChIKey is CEQLCHKASXTCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C5H8O3/c1-7(2)8(10)11-6-5-9(3)4;1-3-8-5(7)4(2)6/h1,5-6H2,2-4H3;6H,2-3H2,1H3.
What are the key properties of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl 2-hydroxyprop-2-enoate?
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl 2-hydroxyprop-2-enoate has a molecular weight of 273.33 g/mol, XLogP of 1.29, 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 2-hydroxyprop-2-enoate is sourced from PubChem (CID 174893121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).