(2-ethoxycarbonylimino-2-methoxyethyl) acetate

C8H13NO5 — CID 118956337

IUPAC(2-ethoxycarbonylimino-2-methoxyethyl) acetate
SMILESCCOC(=O)N=C(COC(C)=O)OC
InChIInChI=1S/C8H13NO5/c1-4-13-8(11)9-7(12-3)5-14-6(2)10/h4-5H2,1-3H3
InChIKeyNZVCDVJRAZLYPK-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.75
Rot. Bonds3

About (2-ethoxycarbonylimino-2-methoxyethyl) acetate

(2-ethoxycarbonylimino-2-methoxyethyl) acetate (PubChem CID 118956337) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is (2-ethoxycarbonylimino-2-methoxyethyl) acetate.

Molecular Properties

Compound Name(2-ethoxycarbonylimino-2-methoxyethyl) acetate
PubChem CID118956337
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name(2-ethoxycarbonylimino-2-methoxyethyl) acetate
SMILESCCOC(=O)N=C(COC(C)=O)OC
InChIInChI=1S/C8H13NO5/c1-4-13-8(11)9-7(12-3)5-14-6(2)10/h4-5H2,1-3H3
InChIKeyNZVCDVJRAZLYPK-UHFFFAOYSA-N
XLogP0.75
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxycarbonylimino-2-methoxyethyl) acetate?
The IUPAC name of (2-ethoxycarbonylimino-2-methoxyethyl) acetate (CID 118956337) is (2-ethoxycarbonylimino-2-methoxyethyl) acetate.
What is the SMILES notation for (2-ethoxycarbonylimino-2-methoxyethyl) acetate?
The canonical SMILES for (2-ethoxycarbonylimino-2-methoxyethyl) acetate is CCOC(=O)N=C(COC(C)=O)OC.
What is the InChIKey of (2-ethoxycarbonylimino-2-methoxyethyl) acetate?
The InChIKey is NZVCDVJRAZLYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-4-13-8(11)9-7(12-3)5-14-6(2)10/h4-5H2,1-3H3.
What are the key properties of (2-ethoxycarbonylimino-2-methoxyethyl) acetate?
(2-ethoxycarbonylimino-2-methoxyethyl) acetate has a molecular weight of 203.19 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxycarbonylimino-2-methoxyethyl) acetate is sourced from PubChem (CID 118956337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).