(3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one

C18H29NO2Si — CID 15352612

IUPAC(3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one
SMILESC[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H29NO2Si/c1-14-16(13-21-22(5,6)18(2,3)4)17(20)19(14)12-15-10-8-7-9-11-15/h7-11,14,16H,12-13H2,1-6H3/t14-,16+/m1/s1
InChIKeyIRJZPNWFQZWXCZ-ZBFHGGJFSA-N
MW319.52 g/mol
LogP4.06
Rot. Bonds5

About (3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one

(3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one (PubChem CID 15352612) has the molecular formula C18H29NO2Si and a molecular weight of 319.52 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one
PubChem CID15352612
Molecular FormulaC18H29NO2Si
Molecular Weight319.52 g/mol
Exact Mass319.20
IUPAC Name(3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one
SMILESC[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H29NO2Si/c1-14-16(13-21-22(5,6)18(2,3)4)17(20)19(14)12-15-10-8-7-9-11-15/h7-11,14,16H,12-13H2,1-6H3/t14-,16+/m1/s1
InChIKeyIRJZPNWFQZWXCZ-ZBFHGGJFSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)azetidin-2-one
CID 135070889
(3R,4S)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)azetidin-2-one
CID 135070890
(3R,4S)-1-benzyl-3,4-dimethylazetidin-2-one
CID 12352001
(3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one
CID 102015004
1-Benzyl-4-trimethylsilylazetidin-2-one
CID 10263412
1-Tert-butyldimethylsilyl-4-phenyl-2-azetidinone
CID 13583686
(3S,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one
CID 59089983
(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one
CID 59089990
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-phenylazetidin-2-one
CID 10913780
N-[(1R)-1-phenylethyl]-N-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide
CID 11177945
N-benzyl-N-methyl-3-trimethylsilyloxybutanamide
CID 11808073
(3R,4R)-1-[tert-butyl(dimethyl)silyl]-4-phenyl-3-trimethylsilylazetidin-2-one
CID 14239378

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one?
The IUPAC name of (3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one (CID 15352612) is (3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one.
What is the SMILES notation for (3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one?
The canonical SMILES for (3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one is C[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one?
The InChIKey is IRJZPNWFQZWXCZ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H29NO2Si/c1-14-16(13-21-22(5,6)18(2,3)4)17(20)19(14)12-15-10-8-7-9-11-15/h7-11,14,16H,12-13H2,1-6H3/t14-,16+/m1/s1.
What are the key properties of (3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one?
(3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one has a molecular weight of 319.52 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one is sourced from PubChem (CID 15352612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).