ethyl 4-oxoazetidine-2-carboxylate

C6H9NO3 — CID 10877226

IUPACethyl 4-oxoazetidine-2-carboxylate
SMILESCCOC(=O)C1CC(=O)N1
InChIInChI=1S/C6H9NO3/c1-2-10-6(9)4-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8)
InChIKeyKADNUXXOMWGVIL-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.56
Rot. Bonds2

About ethyl 4-oxoazetidine-2-carboxylate

ethyl 4-oxoazetidine-2-carboxylate (PubChem CID 10877226) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is ethyl 4-oxoazetidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxoazetidine-2-carboxylate
PubChem CID10877226
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Nameethyl 4-oxoazetidine-2-carboxylate
SMILESCCOC(=O)C1CC(=O)N1
InChIInChI=1S/C6H9NO3/c1-2-10-6(9)4-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8)
InChIKeyKADNUXXOMWGVIL-UHFFFAOYSA-N
XLogP-0.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-oxoazetidine-2-carboxylate 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 4-oxoazetidine-2-carboxylate?
The IUPAC name of ethyl 4-oxoazetidine-2-carboxylate (CID 10877226) is ethyl 4-oxoazetidine-2-carboxylate.
What is the SMILES notation for ethyl 4-oxoazetidine-2-carboxylate?
The canonical SMILES for ethyl 4-oxoazetidine-2-carboxylate is CCOC(=O)C1CC(=O)N1.
What is the InChIKey of ethyl 4-oxoazetidine-2-carboxylate?
The InChIKey is KADNUXXOMWGVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-10-6(9)4-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8).
What are the key properties of ethyl 4-oxoazetidine-2-carboxylate?
ethyl 4-oxoazetidine-2-carboxylate has a molecular weight of 143.14 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxoazetidine-2-carboxylate is sourced from PubChem (CID 10877226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).