ethyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate

C10H17NO4 — CID 123501230

IUPACethyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
SMILESCCOC(=O)C(C)=NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4/c1-6-14-8(12)7(2)11-9(13)15-10(3,4)5/h6H2,1-5H3
InChIKeyAZJFOQJINGPRGK-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.95
Rot. Bonds2

About ethyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate

ethyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate (PubChem CID 123501230) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
PubChem CID123501230
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameethyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
SMILESCCOC(=O)C(C)=NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4/c1-6-14-8(12)7(2)11-9(13)15-10(3,4)5/h6H2,1-5H3
InChIKeyAZJFOQJINGPRGK-UHFFFAOYSA-N
XLogP1.95
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate?
The IUPAC name of ethyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate (CID 123501230) is ethyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate.
What is the SMILES notation for ethyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate?
The canonical SMILES for ethyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate is CCOC(=O)C(C)=NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate?
The InChIKey is AZJFOQJINGPRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-6-14-8(12)7(2)11-9(13)15-10(3,4)5/h6H2,1-5H3.
What are the key properties of ethyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate?
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate has a molecular weight of 215.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate is sourced from PubChem (CID 123501230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).