ethyl 2-(ethoxymethylideneamino)propanoate

C8H15NO3 — CID 20535615

IUPACethyl 2-(ethoxymethylideneamino)propanoate
SMILESCCO/C=N/C(C)C(=O)OCC
InChIInChI=1S/C8H15NO3/c1-4-11-6-9-7(3)8(10)12-5-2/h6-7H,4-5H2,1-3H3/b9-6+
InChIKeyPDJBLXSUXYDBSG-RMKNXTFCSA-N
MW173.21 g/mol
LogP1.00
Rot. Bonds5

About ethyl 2-(ethoxymethylideneamino)propanoate

ethyl 2-(ethoxymethylideneamino)propanoate (PubChem CID 20535615) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl 2-(ethoxymethylideneamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(ethoxymethylideneamino)propanoate
PubChem CID20535615
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl 2-(ethoxymethylideneamino)propanoate
SMILESCCO/C=N/C(C)C(=O)OCC
InChIInChI=1S/C8H15NO3/c1-4-11-6-9-7(3)8(10)12-5-2/h6-7H,4-5H2,1-3H3/b9-6+
InChIKeyPDJBLXSUXYDBSG-RMKNXTFCSA-N
XLogP1.00
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.00
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)propanoate?
The IUPAC name of ethyl 2-(ethoxymethylideneamino)propanoate (CID 20535615) is ethyl 2-(ethoxymethylideneamino)propanoate.
What is the SMILES notation for ethyl 2-(ethoxymethylideneamino)propanoate?
The canonical SMILES for ethyl 2-(ethoxymethylideneamino)propanoate is CCO/C=N/C(C)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethoxymethylideneamino)propanoate?
The InChIKey is PDJBLXSUXYDBSG-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-11-6-9-7(3)8(10)12-5-2/h6-7H,4-5H2,1-3H3/b9-6+.
What are the key properties of ethyl 2-(ethoxymethylideneamino)propanoate?
ethyl 2-(ethoxymethylideneamino)propanoate has a molecular weight of 173.21 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethoxymethylideneamino)propanoate is sourced from PubChem (CID 20535615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).