(4S)-4-[(2S)-1-triphenylsilyloxypropan-2-yl]oxyazetidin-2-one

C24H25NO3Si — CID 10549173

IUPAC(4S)-4-[(2S)-1-triphenylsilyloxypropan-2-yl]oxyazetidin-2-one
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[C@H]1CC(=O)N1
InChIInChI=1S/C24H25NO3Si/c1-19(28-24-17-23(26)25-24)18-27-29(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,24H,17-18H2,1H3,(H,25,26)/t19-,24-/m0/s1
InChIKeyRTBQRLCYEVFNNL-CYFREDJKSA-N
MW403.55 g/mol
LogP1.92
Rot. Bonds8

About (4S)-4-[(2S)-1-triphenylsilyloxypropan-2-yl]oxyazetidin-2-one

(4S)-4-[(2S)-1-triphenylsilyloxypropan-2-yl]oxyazetidin-2-one (PubChem CID 10549173) has the molecular formula C24H25NO3Si and a molecular weight of 403.55 g/mol. Its IUPAC name is (4S)-4-[(2S)-1-triphenylsilyloxypropan-2-yl]oxyazetidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2S)-1-triphenylsilyloxypropan-2-yl]oxyazetidin-2-one
PubChem CID10549173
Molecular FormulaC24H25NO3Si
Molecular Weight403.55 g/mol
Exact Mass403.16
IUPAC Name(4S)-4-[(2S)-1-triphenylsilyloxypropan-2-yl]oxyazetidin-2-one
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[C@H]1CC(=O)N1
InChIInChI=1S/C24H25NO3Si/c1-19(28-24-17-23(26)25-24)18-27-29(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,24H,17-18H2,1H3,(H,25,26)/t19-,24-/m0/s1
InChIKeyRTBQRLCYEVFNNL-CYFREDJKSA-N
XLogP1.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2S)-1-triphenylsilyloxypropan-2-yl]oxyazetidin-2-one?
The IUPAC name of (4S)-4-[(2S)-1-triphenylsilyloxypropan-2-yl]oxyazetidin-2-one (CID 10549173) is (4S)-4-[(2S)-1-triphenylsilyloxypropan-2-yl]oxyazetidin-2-one.
What is the SMILES notation for (4S)-4-[(2S)-1-triphenylsilyloxypropan-2-yl]oxyazetidin-2-one?
The canonical SMILES for (4S)-4-[(2S)-1-triphenylsilyloxypropan-2-yl]oxyazetidin-2-one is C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[C@H]1CC(=O)N1.
What is the InChIKey of (4S)-4-[(2S)-1-triphenylsilyloxypropan-2-yl]oxyazetidin-2-one?
The InChIKey is RTBQRLCYEVFNNL-CYFREDJKSA-N. The full InChI is InChI=1S/C24H25NO3Si/c1-19(28-24-17-23(26)25-24)18-27-29(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,24H,17-18H2,1H3,(H,25,26)/t19-,24-/m0/s1.
What are the key properties of (4S)-4-[(2S)-1-triphenylsilyloxypropan-2-yl]oxyazetidin-2-one?
(4S)-4-[(2S)-1-triphenylsilyloxypropan-2-yl]oxyazetidin-2-one has a molecular weight of 403.55 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2S)-1-triphenylsilyloxypropan-2-yl]oxyazetidin-2-one is sourced from PubChem (CID 10549173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).