[(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

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

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Related Compounds

(3S,4R)-3-phenoxy-4-phenyl-1-pyridin-3-ylazetidin-2-one
CID 44825478
1-(4-Methoxyphenyl)-3,3-dimethyl-4-pyridin-2-ylazetidin-2-one
CID 90667207
(3Rs,4rs)-3-methoxy-1-(4-methoxyphenyl)-4-methyl-4-(2-pyridinyl)azetidin-2-one
CID 129707709
(3Rs,4rs)-1-(4-methoxyphenyl)-4-methyl-3-phenoxy-4-(2-pyridinyl)azetidin-2-one
CID 129707886
2-(4-Fluorophenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-1-one
CID 17011091
[(2S,3R)-2-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl] acetate
CID 9945390
tert-butyl (2S,3R)-2-(3-fluoro-2-pyridinyl)-4-oxo-3-phenylmethoxyazetidine-1-carboxylate
CID 12098287
(3R,4S)-4-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 20611479
[1-[Bis(4-methoxyphenyl)methyl]-2-(3-fluoro-2-pyridinyl)-4-oxoazetidin-3-yl] acetate
CID 21916565
4-(3-Fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 21916567
[2-(3-Fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl] acetate
CID 21916570
Tert-butyl 2-(3-fluoro-2-pyridinyl)-4-oxo-3-phenylmethoxyazetidine-1-carboxylate
CID 23450638

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).