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

C13H19NO6 — CID 22558243

IUPAC2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCCOC(=O)C(=C)C
InChIInChI=1S/C13H19NO6/c1-9(2)11(15)18-6-5-14-13(17)20-8-7-19-12(16)10(3)4/h1,3,5-8H2,2,4H3,(H,14,17)
InChIKeyZKOAUEGIAJTBQH-UHFFFAOYSA-N
MW285.30 g/mol
LogP0.95
Rot. Bonds8

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

2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 22558243) has the molecular formula C13H19NO6 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
PubChem CID22558243
Molecular FormulaC13H19NO6
Molecular Weight285.30 g/mol
Exact Mass285.12
IUPAC Name2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCCOC(=O)C(=C)C
InChIInChI=1S/C13H19NO6/c1-9(2)11(15)18-6-5-14-13(17)20-8-7-19-12(16)10(3)4/h1,3,5-8H2,2,4H3,(H,14,17)
InChIKeyZKOAUEGIAJTBQH-UHFFFAOYSA-N
XLogP0.95
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate (CID 22558243) is 2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OCCOC(=O)C(=C)C.
What is the InChIKey of 2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is ZKOAUEGIAJTBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO6/c1-9(2)11(15)18-6-5-14-13(17)20-8-7-19-12(16)10(3)4/h1,3,5-8H2,2,4H3,(H,14,17).
What are the key properties of 2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 285.30 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 22558243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).