ethyl (2E)-2-[(2-methylpropan-2-yl)oxycarbonylimino]acetate

C9H15NO4 — CID 11159976

IUPACethyl (2E)-2-[(2-methylpropan-2-yl)oxycarbonylimino]acetate
SMILESCCOC(=O)/C=N/C(=O)OC(C)(C)C
InChIInChI=1S/C9H15NO4/c1-5-13-7(11)6-10-8(12)14-9(2,3)4/h6H,5H2,1-4H3/b10-6+
InChIKeyNYGZURGWKKGWHL-UXBLZVDNSA-N
MW201.22 g/mol
LogP1.56
Rot. Bonds2

About ethyl (2E)-2-[(2-methylpropan-2-yl)oxycarbonylimino]acetate

ethyl (2E)-2-[(2-methylpropan-2-yl)oxycarbonylimino]acetate (PubChem CID 11159976) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is ethyl (2E)-2-[(2-methylpropan-2-yl)oxycarbonylimino]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[(2-methylpropan-2-yl)oxycarbonylimino]acetate
PubChem CID11159976
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nameethyl (2E)-2-[(2-methylpropan-2-yl)oxycarbonylimino]acetate
SMILESCCOC(=O)/C=N/C(=O)OC(C)(C)C
InChIInChI=1S/C9H15NO4/c1-5-13-7(11)6-10-8(12)14-9(2,3)4/h6H,5H2,1-4H3/b10-6+
InChIKeyNYGZURGWKKGWHL-UXBLZVDNSA-N
XLogP1.56
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.56
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 (2E)-2-[(2-methylpropan-2-yl)oxycarbonylimino]acetate?
The IUPAC name of ethyl (2E)-2-[(2-methylpropan-2-yl)oxycarbonylimino]acetate (CID 11159976) is ethyl (2E)-2-[(2-methylpropan-2-yl)oxycarbonylimino]acetate.
What is the SMILES notation for ethyl (2E)-2-[(2-methylpropan-2-yl)oxycarbonylimino]acetate?
The canonical SMILES for ethyl (2E)-2-[(2-methylpropan-2-yl)oxycarbonylimino]acetate is CCOC(=O)/C=N/C(=O)OC(C)(C)C.
What is the InChIKey of ethyl (2E)-2-[(2-methylpropan-2-yl)oxycarbonylimino]acetate?
The InChIKey is NYGZURGWKKGWHL-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H15NO4/c1-5-13-7(11)6-10-8(12)14-9(2,3)4/h6H,5H2,1-4H3/b10-6+.
What are the key properties of ethyl (2E)-2-[(2-methylpropan-2-yl)oxycarbonylimino]acetate?
ethyl (2E)-2-[(2-methylpropan-2-yl)oxycarbonylimino]acetate has a molecular weight of 201.22 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(2-methylpropan-2-yl)oxycarbonylimino]acetate is sourced from PubChem (CID 11159976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).