ethyl 2-(2-oxoazetidin-1-yl)-3-phenylpropanoate

C14H17NO3 — CID 24974332

IUPACethyl 2-(2-oxoazetidin-1-yl)-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)N1CCC1=O
InChIInChI=1S/C14H17NO3/c1-2-18-14(17)12(15-9-8-13(15)16)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyVMEUNDGMWBOUKR-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.39
Rot. Bonds5

About ethyl 2-(2-oxoazetidin-1-yl)-3-phenylpropanoate

ethyl 2-(2-oxoazetidin-1-yl)-3-phenylpropanoate (PubChem CID 24974332) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethyl 2-(2-oxoazetidin-1-yl)-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-(2-oxoazetidin-1-yl)-3-phenylpropanoate
PubChem CID24974332
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nameethyl 2-(2-oxoazetidin-1-yl)-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)N1CCC1=O
InChIInChI=1S/C14H17NO3/c1-2-18-14(17)12(15-9-8-13(15)16)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyVMEUNDGMWBOUKR-UHFFFAOYSA-N
XLogP1.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxoazetidin-1-yl)-3-phenylpropanoate?
The IUPAC name of ethyl 2-(2-oxoazetidin-1-yl)-3-phenylpropanoate (CID 24974332) is ethyl 2-(2-oxoazetidin-1-yl)-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-(2-oxoazetidin-1-yl)-3-phenylpropanoate?
The canonical SMILES for ethyl 2-(2-oxoazetidin-1-yl)-3-phenylpropanoate is CCOC(=O)C(Cc1ccccc1)N1CCC1=O.
What is the InChIKey of ethyl 2-(2-oxoazetidin-1-yl)-3-phenylpropanoate?
The InChIKey is VMEUNDGMWBOUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-18-14(17)12(15-9-8-13(15)16)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3.
What are the key properties of ethyl 2-(2-oxoazetidin-1-yl)-3-phenylpropanoate?
ethyl 2-(2-oxoazetidin-1-yl)-3-phenylpropanoate has a molecular weight of 247.29 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxoazetidin-1-yl)-3-phenylpropanoate is sourced from PubChem (CID 24974332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).