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

C17H27NO2Si — CID 10913780

IUPAC(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-phenylazetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C17H27NO2Si/c1-12(20-21(5,6)17(2,3)4)14-15(18-16(14)19)13-10-8-7-9-11-13/h7-12,14-15H,1-6H3,(H,18,19)/t12-,14-,15+/m1/s1
InChIKeyVLHSVAPBDCUGHJ-YUELXQCFSA-N
MW305.49 g/mol
LogP3.88
Rot. Bonds4

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

(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-phenylazetidin-2-one (PubChem CID 10913780) has the molecular formula C17H27NO2Si and a molecular weight of 305.49 g/mol. Its IUPAC name is (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-phenylazetidin-2-one
PubChem CID10913780
Molecular FormulaC17H27NO2Si
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Name(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-phenylazetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C17H27NO2Si/c1-12(20-21(5,6)17(2,3)4)14-15(18-16(14)19)13-10-8-7-9-11-13/h7-12,14-15H,1-6H3,(H,18,19)/t12-,14-,15+/m1/s1
InChIKeyVLHSVAPBDCUGHJ-YUELXQCFSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.88
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

(3R,4S)-3-[(Triethylsilyl)oxy]-4-phenyl-2-azetidinone
CID 10826417
(3R,4S)-3-Triisopropylsilyloxy-4-phenyl-2-azetidinone
CID 10936090
(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one
CID 14807861
(3S,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one
CID 59089983
(3R,4S)-4-(2-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 57784905
4-(2-Fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 68947264
(3S,4R)-4-(2-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 68947267
4-(4-Fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 142636430
(2S)-N-[(1R)-1-phenylethyl]-2-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide
CID 11750809
(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
(2R)-2-[(2R,3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal
CID 15867574

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-phenylazetidin-2-one?
The IUPAC name of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-phenylazetidin-2-one (CID 10913780) is (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-phenylazetidin-2-one.
What is the SMILES notation for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-phenylazetidin-2-one?
The canonical SMILES for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-phenylazetidin-2-one is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-phenylazetidin-2-one?
The InChIKey is VLHSVAPBDCUGHJ-YUELXQCFSA-N. The full InChI is InChI=1S/C17H27NO2Si/c1-12(20-21(5,6)17(2,3)4)14-15(18-16(14)19)13-10-8-7-9-11-13/h7-12,14-15H,1-6H3,(H,18,19)/t12-,14-,15+/m1/s1.
What are the key properties of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-phenylazetidin-2-one?
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-phenylazetidin-2-one has a molecular weight of 305.49 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-phenylazetidin-2-one is sourced from PubChem (CID 10913780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).