ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate

C11H21NO5 — CID 15000284

IUPACethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate
SMILESCCOC(=O)COCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO5/c1-5-16-9(13)8-15-7-6-12-10(14)17-11(2,3)4/h5-8H2,1-4H3,(H,12,14)
InChIKeyJGDJDRSVDKZPGV-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.09
Rot. Bonds6

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

ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate (PubChem CID 15000284) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate
PubChem CID15000284
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Nameethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate
SMILESCCOC(=O)COCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO5/c1-5-16-9(13)8-15-7-6-12-10(14)17-11(2,3)4/h5-8H2,1-4H3,(H,12,14)
InChIKeyJGDJDRSVDKZPGV-UHFFFAOYSA-N
XLogP1.09
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate (CID 15000284) is ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate is CCOC(=O)COCCNC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate?
The InChIKey is JGDJDRSVDKZPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-5-16-9(13)8-15-7-6-12-10(14)17-11(2,3)4/h5-8H2,1-4H3,(H,12,14).
What are the key properties of ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate?
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate has a molecular weight of 247.29 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate is sourced from PubChem (CID 15000284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).