ethyl 1-benzyl-4-oxoazetidine-2-carboxylate

C13H15NO3 — CID 10879033

IUPACethyl 1-benzyl-4-oxoazetidine-2-carboxylate
SMILESCCOC(=O)C1CC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H15NO3/c1-2-17-13(16)11-8-12(15)14(11)9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyVGQFNDQVTBFVQA-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.35
Rot. Bonds4

About ethyl 1-benzyl-4-oxoazetidine-2-carboxylate

ethyl 1-benzyl-4-oxoazetidine-2-carboxylate (PubChem CID 10879033) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl 1-benzyl-4-oxoazetidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-4-oxoazetidine-2-carboxylate
PubChem CID10879033
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Nameethyl 1-benzyl-4-oxoazetidine-2-carboxylate
SMILESCCOC(=O)C1CC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H15NO3/c1-2-17-13(16)11-8-12(15)14(11)9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyVGQFNDQVTBFVQA-UHFFFAOYSA-N
XLogP1.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-4-oxoazetidine-2-carboxylate?
The IUPAC name of ethyl 1-benzyl-4-oxoazetidine-2-carboxylate (CID 10879033) is ethyl 1-benzyl-4-oxoazetidine-2-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-4-oxoazetidine-2-carboxylate?
The canonical SMILES for ethyl 1-benzyl-4-oxoazetidine-2-carboxylate is CCOC(=O)C1CC(=O)N1Cc1ccccc1.
What is the InChIKey of ethyl 1-benzyl-4-oxoazetidine-2-carboxylate?
The InChIKey is VGQFNDQVTBFVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-17-13(16)11-8-12(15)14(11)9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3.
What are the key properties of ethyl 1-benzyl-4-oxoazetidine-2-carboxylate?
ethyl 1-benzyl-4-oxoazetidine-2-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-4-oxoazetidine-2-carboxylate is sourced from PubChem (CID 10879033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).