2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate

C11H19NO4 — CID 88902342

IUPAC2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C)CCOC(C)=O
InChIInChI=1S/C11H19NO4/c1-9(2)11(14)16-8-6-12(4)5-7-15-10(3)13/h1,5-8H2,2-4H3
InChIKeyDVNSJVSHLQNRTF-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.60
Rot. Bonds7

About 2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate

2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate (PubChem CID 88902342) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate
PubChem CID88902342
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C)CCOC(C)=O
InChIInChI=1S/C11H19NO4/c1-9(2)11(14)16-8-6-12(4)5-7-15-10(3)13/h1,5-8H2,2-4H3
InChIKeyDVNSJVSHLQNRTF-UHFFFAOYSA-N
XLogP0.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[but-3-enyl(methyl)amino]ethyl 2-methylprop-2-enoate
CID 87914656
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate
CID 131725052
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
2-[(2-methoxy-2-oxoethyl)-methylamino]ethyl 2-methylprop-2-enoate
CID 163436746
3-[methyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]propane-1-sulfonic acid
CID 89470521
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659289
ethane;2-[methyl(propyl)amino]ethyl acetate
CID 143043646
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide
CID 175228289
2-[3-(methoxymethylcarbamoyl)but-3-enyl-methylamino]ethyl 2-methylprop-2-enoate
CID 126684381
butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 19967472

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate (CID 88902342) is 2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(C)CCOC(C)=O.
What is the InChIKey of 2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate?
The InChIKey is DVNSJVSHLQNRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-9(2)11(14)16-8-6-12(4)5-7-15-10(3)13/h1,5-8H2,2-4H3.
What are the key properties of 2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate?
2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate has a molecular weight of 229.28 g/mol, XLogP of 0.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 88902342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).