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

C19H31NO2Si — CID 135070646

IUPAC(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one
SMILESCC[C@@H]1C(=O)N(Cc2ccccc2)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H31NO2Si/c1-7-16-17(14-22-23(5,6)19(2,3)4)20(18(16)21)13-15-11-9-8-10-12-15/h8-12,16-17H,7,13-14H2,1-6H3/t16-,17+/m0/s1
InChIKeyHQXYVOGWNOTNEE-DLBZAZTESA-N
MW333.55 g/mol
LogP4.45
Rot. Bonds6

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

(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one (PubChem CID 135070646) has the molecular formula C19H31NO2Si and a molecular weight of 333.55 g/mol. Its IUPAC name is (3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one
PubChem CID135070646
Molecular FormulaC19H31NO2Si
Molecular Weight333.55 g/mol
Exact Mass333.21
IUPAC Name(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one
SMILESCC[C@@H]1C(=O)N(Cc2ccccc2)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H31NO2Si/c1-7-16-17(14-22-23(5,6)19(2,3)4)20(18(16)21)13-15-11-9-8-10-12-15/h8-12,16-17H,7,13-14H2,1-6H3/t16-,17+/m0/s1
InChIKeyHQXYVOGWNOTNEE-DLBZAZTESA-N
XLogP4.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.55
LogP ≤ 54.45
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
(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one
CID 59089990
(3R,4S)-1-benzyl-4-(diethoxymethyl)-3-[(1R)-1-fluoroethyl]azetidin-2-one
CID 22840220
(3R,4S)-1-benzyl-4-(ethoxymethoxymethyl)-3-[(1R)-1-fluoroethyl]azetidin-2-one
CID 67865243
(3R,4S)-1-benzyl-4-(diethoxymethyl)-3-(2-fluoroethyl)azetidin-2-one
CID 70440525
1-Benzyl-4-(diethoxymethyl)-3-(2-fluoroethyl)azetidin-2-one
CID 70440526
(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

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one?
The IUPAC name of (3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one (CID 135070646) is (3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one.
What is the SMILES notation for (3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one?
The canonical SMILES for (3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one is CC[C@@H]1C(=O)N(Cc2ccccc2)[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one?
The InChIKey is HQXYVOGWNOTNEE-DLBZAZTESA-N. The full InChI is InChI=1S/C19H31NO2Si/c1-7-16-17(14-22-23(5,6)19(2,3)4)20(18(16)21)13-15-11-9-8-10-12-15/h8-12,16-17H,7,13-14H2,1-6H3/t16-,17+/m0/s1.
What are the key properties of (3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one?
(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one has a molecular weight of 333.55 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one is sourced from PubChem (CID 135070646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).