[(2R,3S)-2-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl] acetate

C17H15FN2O4 — CID 69138960

IUPAC[(2R,3S)-2-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl] acetate
SMILESCOc1ccc(N2C(=O)[C@@H](OC(C)=O)[C@H]2c2ncccc2F)cc1
InChIInChI=1S/C17H15FN2O4/c1-10(21)24-16-15(14-13(18)4-3-9-19-14)20(17(16)22)11-5-7-12(23-2)8-6-11/h3-9,15-16H,1-2H3/t15-,16+/m1/s1
InChIKeySHGLJKXQNOHXHT-CVEARBPZSA-N
MW330.32 g/mol
LogP2.25
Rot. Bonds4

About [(2R,3S)-2-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl] acetate

[(2R,3S)-2-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl] acetate (PubChem CID 69138960) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is [(2R,3S)-2-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S)-2-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl] acetate
PubChem CID69138960
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Name[(2R,3S)-2-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl] acetate
SMILESCOc1ccc(N2C(=O)[C@@H](OC(C)=O)[C@H]2c2ncccc2F)cc1
InChIInChI=1S/C17H15FN2O4/c1-10(21)24-16-15(14-13(18)4-3-9-19-14)20(17(16)22)11-5-7-12(23-2)8-6-11/h3-9,15-16H,1-2H3/t15-,16+/m1/s1
InChIKeySHGLJKXQNOHXHT-CVEARBPZSA-N
XLogP2.25
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl] acetate?
The IUPAC name of [(2R,3S)-2-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl] acetate (CID 69138960) is [(2R,3S)-2-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl] acetate.
What is the SMILES notation for [(2R,3S)-2-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl] acetate?
The canonical SMILES for [(2R,3S)-2-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl] acetate is COc1ccc(N2C(=O)[C@@H](OC(C)=O)[C@H]2c2ncccc2F)cc1.
What is the InChIKey of [(2R,3S)-2-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl] acetate?
The InChIKey is SHGLJKXQNOHXHT-CVEARBPZSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-10(21)24-16-15(14-13(18)4-3-9-19-14)20(17(16)22)11-5-7-12(23-2)8-6-11/h3-9,15-16H,1-2H3/t15-,16+/m1/s1.
What are the key properties of [(2R,3S)-2-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl] acetate?
[(2R,3S)-2-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl] acetate has a molecular weight of 330.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl] acetate is sourced from PubChem (CID 69138960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).