2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl 2-methylprop-2-enoate

C13H23NO5 — CID 58924705

IUPAC2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO5/c1-10(2)11(15)18-9-8-17-7-6-14-12(16)19-13(3,4)5/h1,6-9H2,2-5H3,(H,14,16)
InChIKeyYAELSDLMMWOSDJ-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.65
Rot. Bonds7

About 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl 2-methylprop-2-enoate

2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 58924705) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl 2-methylprop-2-enoate
PubChem CID58924705
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO5/c1-10(2)11(15)18-9-8-17-7-6-14-12(16)19-13(3,4)5/h1,6-9H2,2-5H3,(H,14,16)
InChIKeyYAELSDLMMWOSDJ-UHFFFAOYSA-N
XLogP1.65
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.65
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl 2-methylprop-2-enoate (CID 58924705) is 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCNC(=O)OC(C)(C)C.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is YAELSDLMMWOSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-10(2)11(15)18-9-8-17-7-6-14-12(16)19-13(3,4)5/h1,6-9H2,2-5H3,(H,14,16).
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl 2-methylprop-2-enoate?
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 273.33 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 58924705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).