(3S,4R)-1-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one

C18H27NO3Si — CID 135070019

IUPAC(3S,4R)-1-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
SMILESCC(=O)N1C(=O)[C@@H](c2ccccc2)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H27NO3Si/c1-13(20)19-15(12-22-23(5,6)18(2,3)4)16(17(19)21)14-10-8-7-9-11-14/h7-11,15-16H,12H2,1-6H3/t15-,16-/m0/s1
InChIKeyMBWSCBNXJCHQMB-HOTGVXAUSA-N
MW333.50 g/mol
LogP3.55
Rot. Bonds4

About (3S,4R)-1-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one

(3S,4R)-1-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one (PubChem CID 135070019) has the molecular formula C18H27NO3Si and a molecular weight of 333.50 g/mol. Its IUPAC name is (3S,4R)-1-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-1-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
PubChem CID135070019
Molecular FormulaC18H27NO3Si
Molecular Weight333.50 g/mol
Exact Mass333.18
IUPAC Name(3S,4R)-1-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
SMILESCC(=O)N1C(=O)[C@@H](c2ccccc2)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H27NO3Si/c1-13(20)19-15(12-22-23(5,6)18(2,3)4)16(17(19)21)14-10-8-7-9-11-14/h7-11,15-16H,12H2,1-6H3/t15-,16-/m0/s1
InChIKeyMBWSCBNXJCHQMB-HOTGVXAUSA-N
XLogP3.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one
CID 59089990
(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one
CID 15895933
(4S)-4-benzyl-3-[(4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
CID 54768060
(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one
CID 102014999
(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
CID 102015001
(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
CID 102015002
ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylazetidin-1-yl]acetate
CID 102015005
(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 135019709
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 135019763
(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
CID 135070018
(4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one
CID 135070162
(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one
CID 135070646

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one?
The IUPAC name of (3S,4R)-1-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one (CID 135070019) is (3S,4R)-1-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one.
What is the SMILES notation for (3S,4R)-1-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one?
The canonical SMILES for (3S,4R)-1-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one is CC(=O)N1C(=O)[C@@H](c2ccccc2)[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R)-1-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one?
The InChIKey is MBWSCBNXJCHQMB-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H27NO3Si/c1-13(20)19-15(12-22-23(5,6)18(2,3)4)16(17(19)21)14-10-8-7-9-11-14/h7-11,15-16H,12H2,1-6H3/t15-,16-/m0/s1.
What are the key properties of (3S,4R)-1-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one?
(3S,4R)-1-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one has a molecular weight of 333.50 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one is sourced from PubChem (CID 135070019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).