ethyl 2-(ethoxymethylideneamino)acetate

C7H13NO3 — CID 20535597

IUPACethyl 2-(ethoxymethylideneamino)acetate
SMILESCCO/C=N/CC(=O)OCC
InChIInChI=1S/C7H13NO3/c1-3-10-6-8-5-7(9)11-4-2/h6H,3-5H2,1-2H3/b8-6+
InChIKeyPWDAKETYXAAADK-SOFGYWHQSA-N
MW159.19 g/mol
LogP0.61
Rot. Bonds5

About ethyl 2-(ethoxymethylideneamino)acetate

ethyl 2-(ethoxymethylideneamino)acetate (PubChem CID 20535597) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is ethyl 2-(ethoxymethylideneamino)acetate.

Molecular Properties

Compound Nameethyl 2-(ethoxymethylideneamino)acetate
PubChem CID20535597
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Nameethyl 2-(ethoxymethylideneamino)acetate
SMILESCCO/C=N/CC(=O)OCC
InChIInChI=1S/C7H13NO3/c1-3-10-6-8-5-7(9)11-4-2/h6H,3-5H2,1-2H3/b8-6+
InChIKeyPWDAKETYXAAADK-SOFGYWHQSA-N
XLogP0.61
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ethyl 2-(ethoxymethylideneamino)acetate?
The IUPAC name of ethyl 2-(ethoxymethylideneamino)acetate (CID 20535597) is ethyl 2-(ethoxymethylideneamino)acetate.
What is the SMILES notation for ethyl 2-(ethoxymethylideneamino)acetate?
The canonical SMILES for ethyl 2-(ethoxymethylideneamino)acetate is CCO/C=N/CC(=O)OCC.
What is the InChIKey of ethyl 2-(ethoxymethylideneamino)acetate?
The InChIKey is PWDAKETYXAAADK-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-10-6-8-5-7(9)11-4-2/h6H,3-5H2,1-2H3/b8-6+.
What are the key properties of ethyl 2-(ethoxymethylideneamino)acetate?
ethyl 2-(ethoxymethylideneamino)acetate has a molecular weight of 159.19 g/mol, XLogP of 0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethoxymethylideneamino)acetate is sourced from PubChem (CID 20535597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).