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

C18H29NO2Si — CID 59089990

IUPAC(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one
SMILESC[C@@H]1C(=O)N(Cc2ccccc2)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H29NO2Si/c1-14-16(13-21-22(5,6)18(2,3)4)19(17(14)20)12-15-10-8-7-9-11-15/h7-11,14,16H,12-13H2,1-6H3/t14-,16-/m0/s1
InChIKeyFEOWKCYAKLYUGD-HOCLYGCPSA-N
MW319.52 g/mol
LogP4.06
Rot. Bonds5

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

(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one (PubChem CID 59089990) has the molecular formula C18H29NO2Si and a molecular weight of 319.52 g/mol. Its IUPAC name is (3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one
PubChem CID59089990
Molecular FormulaC18H29NO2Si
Molecular Weight319.52 g/mol
Exact Mass319.20
IUPAC Name(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one
SMILESC[C@@H]1C(=O)N(Cc2ccccc2)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H29NO2Si/c1-14-16(13-21-22(5,6)18(2,3)4)19(17(14)20)12-15-10-8-7-9-11-15/h7-11,14,16H,12-13H2,1-6H3/t14-,16-/m0/s1
InChIKeyFEOWKCYAKLYUGD-HOCLYGCPSA-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
(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
(3S,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one
CID 59089983
(3R,4S)-1-benzyl-4-(ethoxymethoxymethyl)-3-[(1R)-1-fluoroethyl]azetidin-2-one
CID 67865243
(3R,4S)-1-benzyl-4-(dimethoxymethyl)-3-[(1R)-1-fluoroethyl]azetidin-2-one
CID 139646471
N-[(1R)-1-phenylethyl]-N-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide
CID 11177945
(3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one
CID 15352612
(3S,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenylazetidin-2-one
CID 15867560
(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one
CID 15895933
(3S,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylazetidin-2-one
CID 15895934

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one?
The IUPAC name of (3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one (CID 59089990) is (3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one.
What is the SMILES notation for (3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one?
The canonical SMILES for (3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one is C[C@@H]1C(=O)N(Cc2ccccc2)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one?
The InChIKey is FEOWKCYAKLYUGD-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H29NO2Si/c1-14-16(13-21-22(5,6)18(2,3)4)19(17(14)20)12-15-10-8-7-9-11-15/h7-11,14,16H,12-13H2,1-6H3/t14-,16-/m0/s1.
What are the key properties of (3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one?
(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-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 (3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one is sourced from PubChem (CID 59089990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).