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

C12H21NO5 — CID 88543247

IUPAC2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO5/c1-5-10(14)17-9-8-16-7-6-13-11(15)18-12(2,3)4/h5H,1,6-9H2,2-4H3,(H,13,15)
InChIKeyVEWZRLMESKTYSI-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.26
Rot. Bonds7

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

2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl prop-2-enoate (PubChem CID 88543247) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl prop-2-enoate
PubChem CID88543247
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO5/c1-5-10(14)17-9-8-16-7-6-13-11(15)18-12(2,3)4/h5H,1,6-9H2,2-4H3,(H,13,15)
InChIKeyVEWZRLMESKTYSI-UHFFFAOYSA-N
XLogP1.26
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.26
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 prop-2-enoate?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl prop-2-enoate (CID 88543247) is 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCCNC(=O)OC(C)(C)C.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl prop-2-enoate?
The InChIKey is VEWZRLMESKTYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-5-10(14)17-9-8-16-7-6-13-11(15)18-12(2,3)4/h5H,1,6-9H2,2-4H3,(H,13,15).
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl prop-2-enoate?
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl prop-2-enoate has a molecular weight of 259.30 g/mol, XLogP of 1.26, 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 prop-2-enoate is sourced from PubChem (CID 88543247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).