2-[[2-(1-methoxyethoxy)-2-oxoethoxy]carbonylamino]ethyl 2-methylprop-2-enoate

C12H19NO7 — CID 20659249

IUPAC2-[[2-(1-methoxyethoxy)-2-oxoethoxy]carbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCC(=O)OC(C)OC
InChIInChI=1S/C12H19NO7/c1-8(2)11(15)18-6-5-13-12(16)19-7-10(14)20-9(3)17-4/h9H,1,5-7H2,2-4H3,(H,13,16)
InChIKeyWKHYJVIVNWGFNO-UHFFFAOYSA-N
MW289.28 g/mol
LogP0.37
Rot. Bonds8

About 2-[[2-(1-methoxyethoxy)-2-oxoethoxy]carbonylamino]ethyl 2-methylprop-2-enoate

2-[[2-(1-methoxyethoxy)-2-oxoethoxy]carbonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 20659249) has the molecular formula C12H19NO7 and a molecular weight of 289.28 g/mol. Its IUPAC name is 2-[[2-(1-methoxyethoxy)-2-oxoethoxy]carbonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[2-(1-methoxyethoxy)-2-oxoethoxy]carbonylamino]ethyl 2-methylprop-2-enoate
PubChem CID20659249
Molecular FormulaC12H19NO7
Molecular Weight289.28 g/mol
Exact Mass289.12
IUPAC Name2-[[2-(1-methoxyethoxy)-2-oxoethoxy]carbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCC(=O)OC(C)OC
InChIInChI=1S/C12H19NO7/c1-8(2)11(15)18-6-5-13-12(16)19-7-10(14)20-9(3)17-4/h9H,1,5-7H2,2-4H3,(H,13,16)
InChIKeyWKHYJVIVNWGFNO-UHFFFAOYSA-N
XLogP0.37
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methoxyethoxy)-2-oxoethoxy]carbonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[2-(1-methoxyethoxy)-2-oxoethoxy]carbonylamino]ethyl 2-methylprop-2-enoate (CID 20659249) is 2-[[2-(1-methoxyethoxy)-2-oxoethoxy]carbonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[2-(1-methoxyethoxy)-2-oxoethoxy]carbonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[2-(1-methoxyethoxy)-2-oxoethoxy]carbonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OCC(=O)OC(C)OC.
What is the InChIKey of 2-[[2-(1-methoxyethoxy)-2-oxoethoxy]carbonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is WKHYJVIVNWGFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO7/c1-8(2)11(15)18-6-5-13-12(16)19-7-10(14)20-9(3)17-4/h9H,1,5-7H2,2-4H3,(H,13,16).
What are the key properties of 2-[[2-(1-methoxyethoxy)-2-oxoethoxy]carbonylamino]ethyl 2-methylprop-2-enoate?
2-[[2-(1-methoxyethoxy)-2-oxoethoxy]carbonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 289.28 g/mol, XLogP of 0.37, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methoxyethoxy)-2-oxoethoxy]carbonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 20659249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).