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

C16H25NO2Si — CID 135070018

IUPAC(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1NC(=O)[C@H]1c1ccccc1
InChIInChI=1S/C16H25NO2Si/c1-16(2,3)20(4,5)19-11-13-14(15(18)17-13)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3,(H,17,18)/t13-,14-/m0/s1
InChIKeyKAIPPFPGNGXKAR-KBPBESRZSA-N
MW291.47 g/mol
LogP3.29
Rot. Bonds4

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

(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one (PubChem CID 135070018) has the molecular formula C16H25NO2Si and a molecular weight of 291.47 g/mol. Its IUPAC name is (3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
PubChem CID135070018
Molecular FormulaC16H25NO2Si
Molecular Weight291.47 g/mol
Exact Mass291.17
IUPAC Name(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1NC(=O)[C@H]1c1ccccc1
InChIInChI=1S/C16H25NO2Si/c1-16(2,3)20(4,5)19-11-13-14(15(18)17-13)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3,(H,17,18)/t13-,14-/m0/s1
InChIKeyKAIPPFPGNGXKAR-KBPBESRZSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.47
LogP ≤ 53.29
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

(3S)-3-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazine-2,5-dione
CID 10617741
tert-butyl-[[(4S,5S)-2,2-dioxo-5-phenyl-1,3,2-dioxathiolan-4-yl]methoxy]-dimethylsilane
CID 102524605
trans-(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylcyclohexan-1-one
CID 101232144
trans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol
CID 152761562
ethyl 2-[(2R,3R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-4-phenylpyrrolidin-3-yl]acetate
CID 15408492
ethyl 2-[(2S,3S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-4-phenylpyrrolidin-3-yl]acetate
CID 10940237
ethyl 2-[(2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-4-phenylpyrrolidin-3-yl]acetate
CID 15408493
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one
CID 101383304
tert-butyl-dimethyl-[[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]methoxy]silane
CID 11471425
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 76787690
(2R,3R,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenyloxolane-3,4-diol
CID 54754367
(4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one
CID 15408396

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one?
The IUPAC name of (3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one (CID 135070018) is (3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one.
What is the SMILES notation for (3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one?
The canonical SMILES for (3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one is CC(C)(C)[Si](C)(C)OC[C@@H]1NC(=O)[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one?
The InChIKey is KAIPPFPGNGXKAR-KBPBESRZSA-N. The full InChI is InChI=1S/C16H25NO2Si/c1-16(2,3)20(4,5)19-11-13-14(15(18)17-13)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3,(H,17,18)/t13-,14-/m0/s1.
What are the key properties of (3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one?
(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one has a molecular weight of 291.47 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one is sourced from PubChem (CID 135070018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).