(3S,4R)-4-benzyl-3-methoxy-1-methylazetidin-2-one

C12H15NO2 — CID 139236912

IUPAC(3S,4R)-4-benzyl-3-methoxy-1-methylazetidin-2-one
SMILESCO[C@@H]1C(=O)N(C)[C@@H]1Cc1ccccc1
InChIInChI=1S/C12H15NO2/c1-13-10(11(15-2)12(13)14)8-9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3/t10-,11+/m1/s1
InChIKeyFLMOHHORTKQGML-MNOVXSKESA-N
MW205.26 g/mol
LogP1.08
Rot. Bonds3

About (3S,4R)-4-benzyl-3-methoxy-1-methylazetidin-2-one

(3S,4R)-4-benzyl-3-methoxy-1-methylazetidin-2-one (PubChem CID 139236912) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (3S,4R)-4-benzyl-3-methoxy-1-methylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-benzyl-3-methoxy-1-methylazetidin-2-one
PubChem CID139236912
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(3S,4R)-4-benzyl-3-methoxy-1-methylazetidin-2-one
SMILESCO[C@@H]1C(=O)N(C)[C@@H]1Cc1ccccc1
InChIInChI=1S/C12H15NO2/c1-13-10(11(15-2)12(13)14)8-9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3/t10-,11+/m1/s1
InChIKeyFLMOHHORTKQGML-MNOVXSKESA-N
XLogP1.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 194215
Bassiatin
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(3R,6S)-3-benzyl-4-methyl-6-propan-2-ylmorpholine-2,5-dione
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(3S,4R)-1-Acetyl-3-methoxy-4-((E)-1-methyl-2-phenyl-vinyl)-azetidin-2-one
CID 44319331
(3S,4R)-1-Acetyl-3-methoxy-4-phenyl-azetidin-2-one
CID 44319641
(3R,4S)-3-methoxy-1-methylsulfanyl-4-(2-phenylethyl)azetidin-2-one
CID 9899737
(3R,4S)-4-(2-iodophenyl)-3-methoxy-1-methylsulfanylazetidin-2-one
CID 44586750
(3R,4S)-4-(3-iodophenyl)-3-methoxy-1-methylsulfanylazetidin-2-one
CID 44586751
(3R,4S)-4-(4-iodophenyl)-3-methoxy-1-methylsulfanylazetidin-2-one
CID 44586752

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-benzyl-3-methoxy-1-methylazetidin-2-one?
The IUPAC name of (3S,4R)-4-benzyl-3-methoxy-1-methylazetidin-2-one (CID 139236912) is (3S,4R)-4-benzyl-3-methoxy-1-methylazetidin-2-one.
What is the SMILES notation for (3S,4R)-4-benzyl-3-methoxy-1-methylazetidin-2-one?
The canonical SMILES for (3S,4R)-4-benzyl-3-methoxy-1-methylazetidin-2-one is CO[C@@H]1C(=O)N(C)[C@@H]1Cc1ccccc1.
What is the InChIKey of (3S,4R)-4-benzyl-3-methoxy-1-methylazetidin-2-one?
The InChIKey is FLMOHHORTKQGML-MNOVXSKESA-N. The full InChI is InChI=1S/C12H15NO2/c1-13-10(11(15-2)12(13)14)8-9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (3S,4R)-4-benzyl-3-methoxy-1-methylazetidin-2-one?
(3S,4R)-4-benzyl-3-methoxy-1-methylazetidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-benzyl-3-methoxy-1-methylazetidin-2-one is sourced from PubChem (CID 139236912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).