benzyl 3-oxoazetidine-1-carboxylate

C11H11NO3 — CID 10632047

IUPACbenzyl 3-oxoazetidine-1-carboxylate
SMILESO=C1CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C11H11NO3/c13-10-6-12(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyVLMMTGKGDOAYER-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.21
Rot. Bonds2

About benzyl 3-oxoazetidine-1-carboxylate

benzyl 3-oxoazetidine-1-carboxylate (PubChem CID 10632047) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is benzyl 3-oxoazetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-oxoazetidine-1-carboxylate
PubChem CID10632047
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namebenzyl 3-oxoazetidine-1-carboxylate
SMILESO=C1CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C11H11NO3/c13-10-6-12(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyVLMMTGKGDOAYER-UHFFFAOYSA-N
XLogP1.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-oxoazetidine-1-carboxylate?
The IUPAC name of benzyl 3-oxoazetidine-1-carboxylate (CID 10632047) is benzyl 3-oxoazetidine-1-carboxylate.
What is the SMILES notation for benzyl 3-oxoazetidine-1-carboxylate?
The canonical SMILES for benzyl 3-oxoazetidine-1-carboxylate is O=C1CN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-oxoazetidine-1-carboxylate?
The InChIKey is VLMMTGKGDOAYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10-6-12(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of benzyl 3-oxoazetidine-1-carboxylate?
benzyl 3-oxoazetidine-1-carboxylate has a molecular weight of 205.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-oxoazetidine-1-carboxylate is sourced from PubChem (CID 10632047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).