2-[2-[acetyl(methyl)amino]ethylamino]ethyl 2-methylprop-2-enoate

C11H20N2O3 — CID 54293496

IUPAC2-[2-[acetyl(methyl)amino]ethylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNCCN(C)C(C)=O
InChIInChI=1S/C11H20N2O3/c1-9(2)11(15)16-8-6-12-5-7-13(4)10(3)14/h12H,1,5-8H2,2-4H3
InChIKeyRZEFCSMYCFGFDG-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.17
Rot. Bonds7

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

2-[2-[acetyl(methyl)amino]ethylamino]ethyl 2-methylprop-2-enoate (PubChem CID 54293496) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[2-[acetyl(methyl)amino]ethylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[acetyl(methyl)amino]ethylamino]ethyl 2-methylprop-2-enoate
PubChem CID54293496
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[2-[acetyl(methyl)amino]ethylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNCCN(C)C(C)=O
InChIInChI=1S/C11H20N2O3/c1-9(2)11(15)16-8-6-12-5-7-13(4)10(3)14/h12H,1,5-8H2,2-4H3
InChIKeyRZEFCSMYCFGFDG-UHFFFAOYSA-N
XLogP0.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Propenoic acid, 2-methyl-, 2-(2-oxo-1-imidazolidinyl)ethyl ester
CID 643493
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n,o-Bismethacryloyl ethanolamine
CID 15312507
2-Methacryloyloxyethyl-dimethylammonium bromide
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2-(Ethylamino)ethyl 2-methylprop-2-enoate
CID 18325612
2-(2-Aminoethylamino)ethyl 2-methylprop-2-enoate
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Dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-methylprop-2-enoate
CID 22403528
Dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
CID 57789491
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Frequently Asked Questions

What is the IUPAC name of 2-[2-[acetyl(methyl)amino]ethylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[acetyl(methyl)amino]ethylamino]ethyl 2-methylprop-2-enoate (CID 54293496) is 2-[2-[acetyl(methyl)amino]ethylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[acetyl(methyl)amino]ethylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[acetyl(methyl)amino]ethylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNCCN(C)C(C)=O.
What is the InChIKey of 2-[2-[acetyl(methyl)amino]ethylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is RZEFCSMYCFGFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-9(2)11(15)16-8-6-12-5-7-13(4)10(3)14/h12H,1,5-8H2,2-4H3.
What are the key properties of 2-[2-[acetyl(methyl)amino]ethylamino]ethyl 2-methylprop-2-enoate?
2-[2-[acetyl(methyl)amino]ethylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 228.29 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[acetyl(methyl)amino]ethylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 54293496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).