benzyl 4-oxoazetidine-2-carboxylate

C11H11NO3 — CID 2808534

IUPACbenzyl 4-oxoazetidine-2-carboxylate
SMILESO=C1CC(C(=O)OCc2ccccc2)N1
InChIInChI=1S/C11H11NO3/c13-10-6-9(12-10)11(14)15-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)
InChIKeyWGLLBHSIXLWVFU-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.62
Rot. Bonds3

About benzyl 4-oxoazetidine-2-carboxylate

benzyl 4-oxoazetidine-2-carboxylate (PubChem CID 2808534) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is benzyl 4-oxoazetidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 4-oxoazetidine-2-carboxylate
PubChem CID2808534
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namebenzyl 4-oxoazetidine-2-carboxylate
SMILESO=C1CC(C(=O)OCc2ccccc2)N1
InChIInChI=1S/C11H11NO3/c13-10-6-9(12-10)11(14)15-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)
InChIKeyWGLLBHSIXLWVFU-UHFFFAOYSA-N
XLogP0.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-oxoazetidine-2-carboxylate?
The IUPAC name of benzyl 4-oxoazetidine-2-carboxylate (CID 2808534) is benzyl 4-oxoazetidine-2-carboxylate.
What is the SMILES notation for benzyl 4-oxoazetidine-2-carboxylate?
The canonical SMILES for benzyl 4-oxoazetidine-2-carboxylate is O=C1CC(C(=O)OCc2ccccc2)N1.
What is the InChIKey of benzyl 4-oxoazetidine-2-carboxylate?
The InChIKey is WGLLBHSIXLWVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10-6-9(12-10)11(14)15-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13).
What are the key properties of benzyl 4-oxoazetidine-2-carboxylate?
benzyl 4-oxoazetidine-2-carboxylate has a molecular weight of 205.21 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-oxoazetidine-2-carboxylate is sourced from PubChem (CID 2808534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).