2-[2-(dimethylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate

C11H20N2O4 — CID 21344066

IUPAC2-[2-(dimethylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCCN(C)C
InChIInChI=1S/C11H20N2O4/c1-9(2)10(14)16-7-5-12-11(15)17-8-6-13(3)4/h1,5-8H2,2-4H3,(H,12,15)
InChIKeyIKJKDQWACJSGLT-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.39
Rot. Bonds7

About 2-[2-(dimethylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate

2-[2-(dimethylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 21344066) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
PubChem CID21344066
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[2-(dimethylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCCN(C)C
InChIInChI=1S/C11H20N2O4/c1-9(2)10(14)16-7-5-12-11(15)17-8-6-13(3)4/h1,5-8H2,2-4H3,(H,12,15)
InChIKeyIKJKDQWACJSGLT-UHFFFAOYSA-N
XLogP0.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Dimethylmethacryloyloxyethyl ammonium methyl sulfate
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Dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-methylprop-2-enoate
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CID 22558243
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CID 57646226

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-(dimethylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate (CID 21344066) is 2-[2-(dimethylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-(dimethylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OCCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is IKJKDQWACJSGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-9(2)10(14)16-7-5-12-11(15)17-8-6-13(3)4/h1,5-8H2,2-4H3,(H,12,15).
What are the key properties of 2-[2-(dimethylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
2-[2-(dimethylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 244.29 g/mol, XLogP of 0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 21344066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).