(3S)-4-(2-phenylethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one

C20H33NO2Si — CID 57045421

IUPAC(3S)-4-(2-phenylethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCC(C)[Si](O[C@@H]1C(=O)NC1CCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C20H33NO2Si/c1-14(2)24(15(3)4,16(5)6)23-19-18(21-20(19)22)13-12-17-10-8-7-9-11-17/h7-11,14-16,18-19H,12-13H2,1-6H3,(H,21,22)/t18?,19-/m0/s1
InChIKeyLASRSMNUEBADTG-GGYWPGCISA-N
MW347.58 g/mol
LogP4.68
Rot. Bonds8

About (3S)-4-(2-phenylethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one

(3S)-4-(2-phenylethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one (PubChem CID 57045421) has the molecular formula C20H33NO2Si and a molecular weight of 347.58 g/mol. Its IUPAC name is (3S)-4-(2-phenylethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one.

Molecular Properties

Compound Name(3S)-4-(2-phenylethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
PubChem CID57045421
Molecular FormulaC20H33NO2Si
Molecular Weight347.58 g/mol
Exact Mass347.23
IUPAC Name(3S)-4-(2-phenylethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCC(C)[Si](O[C@@H]1C(=O)NC1CCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C20H33NO2Si/c1-14(2)24(15(3)4,16(5)6)23-19-18(21-20(19)22)13-12-17-10-8-7-9-11-17/h7-11,14-16,18-19H,12-13H2,1-6H3,(H,21,22)/t18?,19-/m0/s1
InChIKeyLASRSMNUEBADTG-GGYWPGCISA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.58
LogP ≤ 54.68
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
(3R,4S)-4-(2-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 57784905
HOCO-bAla(2S-OTBDMS,3S-Bn(3-F))-tBu
CID 67305135
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
N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide
CID 69266512
N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide
CID 87349665
N-[3-[tert-butyl(dimethyl)silyl]oxy-1-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide
CID 91093633
4-(4-Fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 142636430
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-phenylazetidin-2-one
CID 10913780

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(2-phenylethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The IUPAC name of (3S)-4-(2-phenylethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one (CID 57045421) is (3S)-4-(2-phenylethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one.
What is the SMILES notation for (3S)-4-(2-phenylethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The canonical SMILES for (3S)-4-(2-phenylethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one is CC(C)[Si](O[C@@H]1C(=O)NC1CCc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of (3S)-4-(2-phenylethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The InChIKey is LASRSMNUEBADTG-GGYWPGCISA-N. The full InChI is InChI=1S/C20H33NO2Si/c1-14(2)24(15(3)4,16(5)6)23-19-18(21-20(19)22)13-12-17-10-8-7-9-11-17/h7-11,14-16,18-19H,12-13H2,1-6H3,(H,21,22)/t18?,19-/m0/s1.
What are the key properties of (3S)-4-(2-phenylethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
(3S)-4-(2-phenylethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one has a molecular weight of 347.58 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(2-phenylethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one is sourced from PubChem (CID 57045421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).