ethyl 2-(2-ethoxyethylimino)acetate

C8H15NO3 — CID 139818746

IUPACethyl 2-(2-ethoxyethylimino)acetate
SMILESCCOCC/N=C/C(=O)OCC
InChIInChI=1S/C8H15NO3/c1-3-11-6-5-9-7-8(10)12-4-2/h7H,3-6H2,1-2H3/b9-7+
InChIKeyGSEXUIWFPQOILQ-VQHVLOKHSA-N
MW173.21 g/mol
LogP0.66
Rot. Bonds6

About ethyl 2-(2-ethoxyethylimino)acetate

ethyl 2-(2-ethoxyethylimino)acetate (PubChem CID 139818746) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl 2-(2-ethoxyethylimino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxyethylimino)acetate
PubChem CID139818746
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl 2-(2-ethoxyethylimino)acetate
SMILESCCOCC/N=C/C(=O)OCC
InChIInChI=1S/C8H15NO3/c1-3-11-6-5-9-7-8(10)12-4-2/h7H,3-6H2,1-2H3/b9-7+
InChIKeyGSEXUIWFPQOILQ-VQHVLOKHSA-N
XLogP0.66
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxyethylimino)acetate?
The IUPAC name of ethyl 2-(2-ethoxyethylimino)acetate (CID 139818746) is ethyl 2-(2-ethoxyethylimino)acetate.
What is the SMILES notation for ethyl 2-(2-ethoxyethylimino)acetate?
The canonical SMILES for ethyl 2-(2-ethoxyethylimino)acetate is CCOCC/N=C/C(=O)OCC.
What is the InChIKey of ethyl 2-(2-ethoxyethylimino)acetate?
The InChIKey is GSEXUIWFPQOILQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-11-6-5-9-7-8(10)12-4-2/h7H,3-6H2,1-2H3/b9-7+.
What are the key properties of ethyl 2-(2-ethoxyethylimino)acetate?
ethyl 2-(2-ethoxyethylimino)acetate has a molecular weight of 173.21 g/mol, XLogP of 0.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxyethylimino)acetate is sourced from PubChem (CID 139818746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).