(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one

C15H23NO2Si — CID 101383304

IUPAC(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C15H23NO2Si/c1-15(2,3)19(4,5)18-13-12(16-14(13)17)11-9-7-6-8-10-11/h6-10,12-13H,1-5H3,(H,16,17)/t12-,13+/m1/s1
InChIKeyXSLAYGYEDULIRR-OLZOCXBDSA-N
MW277.44 g/mol
LogP3.25
Rot. Bonds3

About (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one

(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one (PubChem CID 101383304) has the molecular formula C15H23NO2Si and a molecular weight of 277.44 g/mol. Its IUPAC name is (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one
PubChem CID101383304
Molecular FormulaC15H23NO2Si
Molecular Weight277.44 g/mol
Exact Mass277.15
IUPAC Name(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C15H23NO2Si/c1-15(2,3)19(4,5)18-13-12(16-14(13)17)11-9-7-6-8-10-11/h6-10,12-13H,1-5H3,(H,16,17)/t12-,13+/m1/s1
InChIKeyXSLAYGYEDULIRR-OLZOCXBDSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one
CID 89246042
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 53254254
(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
CID 135070018
tert-butyl-[[(1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-3,4-dihydro-1H-isochromen-4-yl]oxy]-dimethylsilane
CID 11454213
(3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione
CID 11102405
(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one
CID 102184862
(3R,4S)-4-phenyl-3-triethylsilyloxyazetidin-2-one;triethylsilyl 2-triethylsilyloxyacetate
CID 158116007
(3R,6R,8E,11R)-6-[tert-butyl(dimethyl)silyl]oxy-11-methyl-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
CID 131746039
4-phenyl-3-(2-phenylethoxy)azetidin-2-one
CID 22073347
[(3R,4S)-2-oxo-4-phenylazetidin-3-yl] 2,2-dichloroacetate
CID 131857484
(2R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylcyclohexan-1-one
CID 101106032
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one
CID 101128093

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one?
The IUPAC name of (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one (CID 101383304) is (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one.
What is the SMILES notation for (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one?
The canonical SMILES for (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1C(=O)N[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one?
The InChIKey is XSLAYGYEDULIRR-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H23NO2Si/c1-15(2,3)19(4,5)18-13-12(16-14(13)17)11-9-7-6-8-10-11/h6-10,12-13H,1-5H3,(H,16,17)/t12-,13+/m1/s1.
What are the key properties of (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one?
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one has a molecular weight of 277.44 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one is sourced from PubChem (CID 101383304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).