methyl 2-[(2R,3S)-3-methyl-2-(4-methylphenyl)-4-oxoazetidin-1-yl]acetate

C14H17NO3 — CID 102308817

IUPACmethyl 2-[(2R,3S)-3-methyl-2-(4-methylphenyl)-4-oxoazetidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)[C@@H](C)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C14H17NO3/c1-9-4-6-11(7-5-9)13-10(2)14(17)15(13)8-12(16)18-3/h4-7,10,13H,8H2,1-3H3/t10-,13+/m0/s1
InChIKeyRSIJEJWGAJGUEQ-GXFFZTMASA-N
MW247.29 g/mol
LogP1.69
Rot. Bonds3

About methyl 2-[(2R,3S)-3-methyl-2-(4-methylphenyl)-4-oxoazetidin-1-yl]acetate

methyl 2-[(2R,3S)-3-methyl-2-(4-methylphenyl)-4-oxoazetidin-1-yl]acetate (PubChem CID 102308817) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 2-[(2R,3S)-3-methyl-2-(4-methylphenyl)-4-oxoazetidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,3S)-3-methyl-2-(4-methylphenyl)-4-oxoazetidin-1-yl]acetate
PubChem CID102308817
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namemethyl 2-[(2R,3S)-3-methyl-2-(4-methylphenyl)-4-oxoazetidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)[C@@H](C)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C14H17NO3/c1-9-4-6-11(7-5-9)13-10(2)14(17)15(13)8-12(16)18-3/h4-7,10,13H,8H2,1-3H3/t10-,13+/m0/s1
InChIKeyRSIJEJWGAJGUEQ-GXFFZTMASA-N
XLogP1.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl (3S,4S,5S)-1-(2-methoxy-2-oxoethyl)-2-oxo-5-phenylpyrrolidine-3,4-dicarboxylate
CID 15314815
methyl 4-(1-benzyl-3-methyl-4-oxoazetidin-2-yl)benzoate
CID 122231365
methyl 2-[(4R)-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]acetate
CID 95789541
methyl 2-[(2R,3S)-2-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]acetate
CID 101189030
1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)azetidin-2-one
CID 75219177
3-methyl-2-(4-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride
CID 66351405
methyl 2-[[(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carbonyl]amino]acetate
CID 95738407
methyl 2-[(3S,4R)-3-ethyl-2-oxo-4-phenylsulfanylazetidin-1-yl]acetate
CID 14105123
methyl 2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate
CID 132541266
methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate
CID 82561175
methyl 4-[3-acetyl-4-hydroxy-1-(2-methoxy-2-oxoethyl)-5-oxo-2H-pyrrol-2-yl]benzoate
CID 3144825
methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate
CID 59562280

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,3S)-3-methyl-2-(4-methylphenyl)-4-oxoazetidin-1-yl]acetate?
The IUPAC name of methyl 2-[(2R,3S)-3-methyl-2-(4-methylphenyl)-4-oxoazetidin-1-yl]acetate (CID 102308817) is methyl 2-[(2R,3S)-3-methyl-2-(4-methylphenyl)-4-oxoazetidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,3S)-3-methyl-2-(4-methylphenyl)-4-oxoazetidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(2R,3S)-3-methyl-2-(4-methylphenyl)-4-oxoazetidin-1-yl]acetate is COC(=O)CN1C(=O)[C@@H](C)[C@@H]1c1ccc(C)cc1.
What is the InChIKey of methyl 2-[(2R,3S)-3-methyl-2-(4-methylphenyl)-4-oxoazetidin-1-yl]acetate?
The InChIKey is RSIJEJWGAJGUEQ-GXFFZTMASA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-4-6-11(7-5-9)13-10(2)14(17)15(13)8-12(16)18-3/h4-7,10,13H,8H2,1-3H3/t10-,13+/m0/s1.
What are the key properties of methyl 2-[(2R,3S)-3-methyl-2-(4-methylphenyl)-4-oxoazetidin-1-yl]acetate?
methyl 2-[(2R,3S)-3-methyl-2-(4-methylphenyl)-4-oxoazetidin-1-yl]acetate has a molecular weight of 247.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3S)-3-methyl-2-(4-methylphenyl)-4-oxoazetidin-1-yl]acetate is sourced from PubChem (CID 102308817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).