ethyl 2-(2-oxoethylideneamino)acetate

C6H9NO3 — CID 89113459

IUPACethyl 2-(2-oxoethylideneamino)acetate
SMILESCCOC(=O)C/N=C/C=O
InChIInChI=1S/C6H9NO3/c1-2-10-6(9)5-7-3-4-8/h3-4H,2,5H2,1H3/b7-3+
InChIKeyNYAUBSUMPMMZRL-XVNBXDOJSA-N
MW143.14 g/mol
LogP-0.18
Rot. Bonds4

About ethyl 2-(2-oxoethylideneamino)acetate

ethyl 2-(2-oxoethylideneamino)acetate (PubChem CID 89113459) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is ethyl 2-(2-oxoethylideneamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-oxoethylideneamino)acetate
PubChem CID89113459
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Nameethyl 2-(2-oxoethylideneamino)acetate
SMILESCCOC(=O)C/N=C/C=O
InChIInChI=1S/C6H9NO3/c1-2-10-6(9)5-7-3-4-8/h3-4H,2,5H2,1H3/b7-3+
InChIKeyNYAUBSUMPMMZRL-XVNBXDOJSA-N
XLogP-0.18
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-(2-oxoethylideneamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxoethylideneamino)acetate?
The IUPAC name of ethyl 2-(2-oxoethylideneamino)acetate (CID 89113459) is ethyl 2-(2-oxoethylideneamino)acetate.
What is the SMILES notation for ethyl 2-(2-oxoethylideneamino)acetate?
The canonical SMILES for ethyl 2-(2-oxoethylideneamino)acetate is CCOC(=O)C/N=C/C=O.
What is the InChIKey of ethyl 2-(2-oxoethylideneamino)acetate?
The InChIKey is NYAUBSUMPMMZRL-XVNBXDOJSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-10-6(9)5-7-3-4-8/h3-4H,2,5H2,1H3/b7-3+.
What are the key properties of ethyl 2-(2-oxoethylideneamino)acetate?
ethyl 2-(2-oxoethylideneamino)acetate has a molecular weight of 143.14 g/mol, XLogP of -0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxoethylideneamino)acetate is sourced from PubChem (CID 89113459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).