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

C20H31NO2Si — CID 15867560

IUPAC(3S,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenylazetidin-2-one
SMILESC=C[C@@H]1[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C20H31NO2Si/c1-8-17-18(15(2)23-24(6,7)20(3,4)5)19(22)21(17)14-16-12-10-9-11-13-16/h8-13,15,17-18H,1,14H2,2-7H3/t15-,17-,18-/m1/s1
InChIKeyWLRXMSPFZUGYJM-KBAYOESNSA-N
MW345.56 g/mol
LogP4.61
Rot. Bonds6

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

(3S,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenylazetidin-2-one (PubChem CID 15867560) has the molecular formula C20H31NO2Si and a molecular weight of 345.56 g/mol. Its IUPAC name is (3S,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenylazetidin-2-one
PubChem CID15867560
Molecular FormulaC20H31NO2Si
Molecular Weight345.56 g/mol
Exact Mass345.21
IUPAC Name(3S,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenylazetidin-2-one
SMILESC=C[C@@H]1[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C20H31NO2Si/c1-8-17-18(15(2)23-24(6,7)20(3,4)5)19(22)21(17)14-16-12-10-9-11-13-16/h8-13,15,17-18H,1,14H2,2-7H3/t15-,17-,18-/m1/s1
InChIKeyWLRXMSPFZUGYJM-KBAYOESNSA-N
XLogP4.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.56
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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
N-benzyl-3-trimethylsilyloxybutanamide
CID 135070164
1-Benzyl-4-trimethylsilylazetidin-2-one
CID 10263412
(3S,4S)-1-benzyl-4-ethynyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one
CID 18610838
(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
1-Benzyl-4-(difluoromethyl)-3-(1-hydroxyethyl)azetidin-2-one
CID 85692836
(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
(2S)-N-[(1R)-1-phenylethyl]-2-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide
CID 11750809

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenylazetidin-2-one?
The IUPAC name of (3S,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenylazetidin-2-one (CID 15867560) is (3S,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenylazetidin-2-one.
What is the SMILES notation for (3S,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenylazetidin-2-one?
The canonical SMILES for (3S,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenylazetidin-2-one is C=C[C@@H]1[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3S,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenylazetidin-2-one?
The InChIKey is WLRXMSPFZUGYJM-KBAYOESNSA-N. The full InChI is InChI=1S/C20H31NO2Si/c1-8-17-18(15(2)23-24(6,7)20(3,4)5)19(22)21(17)14-16-12-10-9-11-13-16/h8-13,15,17-18H,1,14H2,2-7H3/t15-,17-,18-/m1/s1.
What are the key properties of (3S,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenylazetidin-2-one?
(3S,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenylazetidin-2-one has a molecular weight of 345.56 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenylazetidin-2-one is sourced from PubChem (CID 15867560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).