ethyl 2-[2-(2-methoxyethoxy)ethylimino]acetate

C9H17NO4 — CID 139818768

IUPACethyl 2-[2-(2-methoxyethoxy)ethylimino]acetate
SMILESCCOC(=O)/C=N/CCOCCOC
InChIInChI=1S/C9H17NO4/c1-3-14-9(11)8-10-4-5-13-7-6-12-2/h8H,3-7H2,1-2H3/b10-8+
InChIKeyZEXLLRRALHJLEV-CSKARUKUSA-N
MW203.24 g/mol
LogP0.28
Rot. Bonds8

About ethyl 2-[2-(2-methoxyethoxy)ethylimino]acetate

ethyl 2-[2-(2-methoxyethoxy)ethylimino]acetate (PubChem CID 139818768) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is ethyl 2-[2-(2-methoxyethoxy)ethylimino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-methoxyethoxy)ethylimino]acetate
PubChem CID139818768
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nameethyl 2-[2-(2-methoxyethoxy)ethylimino]acetate
SMILESCCOC(=O)/C=N/CCOCCOC
InChIInChI=1S/C9H17NO4/c1-3-14-9(11)8-10-4-5-13-7-6-12-2/h8H,3-7H2,1-2H3/b10-8+
InChIKeyZEXLLRRALHJLEV-CSKARUKUSA-N
XLogP0.28
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2-methoxyethoxy)ethylimino]acetate?
The IUPAC name of ethyl 2-[2-(2-methoxyethoxy)ethylimino]acetate (CID 139818768) is ethyl 2-[2-(2-methoxyethoxy)ethylimino]acetate.
What is the SMILES notation for ethyl 2-[2-(2-methoxyethoxy)ethylimino]acetate?
The canonical SMILES for ethyl 2-[2-(2-methoxyethoxy)ethylimino]acetate is CCOC(=O)/C=N/CCOCCOC.
What is the InChIKey of ethyl 2-[2-(2-methoxyethoxy)ethylimino]acetate?
The InChIKey is ZEXLLRRALHJLEV-CSKARUKUSA-N. The full InChI is InChI=1S/C9H17NO4/c1-3-14-9(11)8-10-4-5-13-7-6-12-2/h8H,3-7H2,1-2H3/b10-8+.
What are the key properties of ethyl 2-[2-(2-methoxyethoxy)ethylimino]acetate?
ethyl 2-[2-(2-methoxyethoxy)ethylimino]acetate has a molecular weight of 203.24 g/mol, XLogP of 0.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-methoxyethoxy)ethylimino]acetate is sourced from PubChem (CID 139818768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).