(4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one

C17H27NO2Si — CID 135070162

IUPAC(4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC(=O)N1Cc1ccccc1
InChIInChI=1S/C17H27NO2Si/c1-17(2,3)21(4,5)20-13-15-11-16(19)18(15)12-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3/t15-/m0/s1
InChIKeyREYZZCSWBLYXOE-HNNXBMFYSA-N
MW305.49 g/mol
LogP3.81
Rot. Bonds5

About (4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one

(4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one (PubChem CID 135070162) has the molecular formula C17H27NO2Si and a molecular weight of 305.49 g/mol. Its IUPAC name is (4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one.

Molecular Properties

Compound Name(4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one
PubChem CID135070162
Molecular FormulaC17H27NO2Si
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Name(4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC(=O)N1Cc1ccccc1
InChIInChI=1S/C17H27NO2Si/c1-17(2,3)21(4,5)20-13-15-11-16(19)18(15)12-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3/t15-/m0/s1
InChIKeyREYZZCSWBLYXOE-HNNXBMFYSA-N
XLogP3.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.81
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
(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
(3R,4S)-1-benzyl-4-(ethoxymethoxymethyl)-3-[(1R)-1-fluoroethyl]azetidin-2-one
CID 67865243
N-benzyl-4-trimethylsilyloxybutanamide
CID 10901523
N-[(1R)-1-phenylethyl]-N-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide
CID 11177945
(3R,4R)-1-[tert-butyl(dimethyl)silyl]-4-phenyl-3-trimethylsilylazetidin-2-one
CID 14239378
(3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one
CID 15352612

Frequently Asked Questions

What is the IUPAC name of (4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one?
The IUPAC name of (4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one (CID 135070162) is (4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one.
What is the SMILES notation for (4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one?
The canonical SMILES for (4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one is CC(C)(C)[Si](C)(C)OC[C@@H]1CC(=O)N1Cc1ccccc1.
What is the InChIKey of (4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one?
The InChIKey is REYZZCSWBLYXOE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27NO2Si/c1-17(2,3)21(4,5)20-13-15-11-16(19)18(15)12-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3/t15-/m0/s1.
What are the key properties of (4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one?
(4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one has a molecular weight of 305.49 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one is sourced from PubChem (CID 135070162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).