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

C18H29NO2SeSi — CID 11165439

IUPAC(3S,4R)-4-benzylselanyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1[Se]Cc1ccccc1
InChIInChI=1S/C18H29NO2SeSi/c1-13(21-23(5,6)18(2,3)4)15-16(20)19-17(15)22-12-14-10-8-7-9-11-14/h7-11,13,15,17H,12H2,1-6H3,(H,19,20)/t13-,15+,17-/m1/s1
InChIKeyNUNDIXKTGVUZQF-UKPHBRMFSA-N
MW398.48 g/mol
LogP3.37
Rot. Bonds6

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

(3S,4R)-4-benzylselanyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one (PubChem CID 11165439) has the molecular formula C18H29NO2SeSi and a molecular weight of 398.48 g/mol. Its IUPAC name is (3S,4R)-4-benzylselanyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-benzylselanyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
PubChem CID11165439
Molecular FormulaC18H29NO2SeSi
Molecular Weight398.48 g/mol
Exact Mass399.11
IUPAC Name(3S,4R)-4-benzylselanyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1[Se]Cc1ccccc1
InChIInChI=1S/C18H29NO2SeSi/c1-13(21-23(5,6)18(2,3)4)15-16(20)19-17(15)22-12-14-10-8-7-9-11-14/h7-11,13,15,17H,12H2,1-6H3,(H,19,20)/t13-,15+,17-/m1/s1
InChIKeyNUNDIXKTGVUZQF-UKPHBRMFSA-N
XLogP3.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-N-phenylmethoxybenzamide
CID 127034444
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-phenylmethoxypent-3-yn-2-yl)azetidin-2-one
CID 101437022
(3R,4S)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-phenylsulfanylethynyl)azetidin-2-one
CID 54544109
(3R,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxyazetidin-2-one
CID 155677974
[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 2-phenylbutanoate
CID 15678041
(3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(iodomethyl)azetidin-2-one
CID 13073914
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(3R)-3-methoxy-2-oxo-3-phenylpropyl]azetidin-2-one
CID 10524518
phenyl (2S)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanedithioate
CID 57126235
(3R,4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-pyridin-4-ylpropoxy)azetidin-2-one
CID 122221433
methyl (2R,3S)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-2-carboxylate
CID 13073908
3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylsulfonylazetidin-2-one
CID 14486195
4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]but-2-ynyl benzoate
CID 11069440

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-benzylselanyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one?
The IUPAC name of (3S,4R)-4-benzylselanyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one (CID 11165439) is (3S,4R)-4-benzylselanyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one.
What is the SMILES notation for (3S,4R)-4-benzylselanyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one?
The canonical SMILES for (3S,4R)-4-benzylselanyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1[Se]Cc1ccccc1.
What is the InChIKey of (3S,4R)-4-benzylselanyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one?
The InChIKey is NUNDIXKTGVUZQF-UKPHBRMFSA-N. The full InChI is InChI=1S/C18H29NO2SeSi/c1-13(21-23(5,6)18(2,3)4)15-16(20)19-17(15)22-12-14-10-8-7-9-11-14/h7-11,13,15,17H,12H2,1-6H3,(H,19,20)/t13-,15+,17-/m1/s1.
What are the key properties of (3S,4R)-4-benzylselanyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one?
(3S,4R)-4-benzylselanyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one has a molecular weight of 398.48 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-benzylselanyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one is sourced from PubChem (CID 11165439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).