methyl 2-[2-(4-hydroxyphenyl)-3-methyl-4-oxoazetidin-1-yl]acetate

C13H15NO4 — CID 102301429

IUPACmethyl 2-[2-(4-hydroxyphenyl)-3-methyl-4-oxoazetidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C(C)C1c1ccc(O)cc1
InChIInChI=1S/C13H15NO4/c1-8-12(9-3-5-10(15)6-4-9)14(13(8)17)7-11(16)18-2/h3-6,8,12,15H,7H2,1-2H3
InChIKeyGGENTTDURRIUTA-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.08
Rot. Bonds3

About methyl 2-[2-(4-hydroxyphenyl)-3-methyl-4-oxoazetidin-1-yl]acetate

methyl 2-[2-(4-hydroxyphenyl)-3-methyl-4-oxoazetidin-1-yl]acetate (PubChem CID 102301429) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 2-[2-(4-hydroxyphenyl)-3-methyl-4-oxoazetidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-hydroxyphenyl)-3-methyl-4-oxoazetidin-1-yl]acetate
PubChem CID102301429
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namemethyl 2-[2-(4-hydroxyphenyl)-3-methyl-4-oxoazetidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C(C)C1c1ccc(O)cc1
InChIInChI=1S/C13H15NO4/c1-8-12(9-3-5-10(15)6-4-9)14(13(8)17)7-11(16)18-2/h3-6,8,12,15H,7H2,1-2H3
InChIKeyGGENTTDURRIUTA-UHFFFAOYSA-N
XLogP1.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-hydroxyphenyl)-3-methyl-4-oxoazetidin-1-yl]acetate?
The IUPAC name of methyl 2-[2-(4-hydroxyphenyl)-3-methyl-4-oxoazetidin-1-yl]acetate (CID 102301429) is methyl 2-[2-(4-hydroxyphenyl)-3-methyl-4-oxoazetidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-(4-hydroxyphenyl)-3-methyl-4-oxoazetidin-1-yl]acetate?
The canonical SMILES for methyl 2-[2-(4-hydroxyphenyl)-3-methyl-4-oxoazetidin-1-yl]acetate is COC(=O)CN1C(=O)C(C)C1c1ccc(O)cc1.
What is the InChIKey of methyl 2-[2-(4-hydroxyphenyl)-3-methyl-4-oxoazetidin-1-yl]acetate?
The InChIKey is GGENTTDURRIUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-8-12(9-3-5-10(15)6-4-9)14(13(8)17)7-11(16)18-2/h3-6,8,12,15H,7H2,1-2H3.
What are the key properties of methyl 2-[2-(4-hydroxyphenyl)-3-methyl-4-oxoazetidin-1-yl]acetate?
methyl 2-[2-(4-hydroxyphenyl)-3-methyl-4-oxoazetidin-1-yl]acetate has a molecular weight of 249.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-hydroxyphenyl)-3-methyl-4-oxoazetidin-1-yl]acetate is sourced from PubChem (CID 102301429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).