(3S)-3-[(1R)-1-triphenylsilyloxyethyl]azetidin-2-one

C23H23NO2Si — CID 57284837

IUPAC(3S)-3-[(1R)-1-triphenylsilyloxyethyl]azetidin-2-one
SMILESC[C@@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H]1CNC1=O
InChIInChI=1S/C23H23NO2Si/c1-18(22-17-24-23(22)25)26-27(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22H,17H2,1H3,(H,24,25)/t18-,22+/m1/s1
InChIKeyTVHILPYPSMAUAE-GCJKJVERSA-N
MW373.53 g/mol
LogP1.80
Rot. Bonds6

About (3S)-3-[(1R)-1-triphenylsilyloxyethyl]azetidin-2-one

(3S)-3-[(1R)-1-triphenylsilyloxyethyl]azetidin-2-one (PubChem CID 57284837) has the molecular formula C23H23NO2Si and a molecular weight of 373.53 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-triphenylsilyloxyethyl]azetidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-triphenylsilyloxyethyl]azetidin-2-one
PubChem CID57284837
Molecular FormulaC23H23NO2Si
Molecular Weight373.53 g/mol
Exact Mass373.15
IUPAC Name(3S)-3-[(1R)-1-triphenylsilyloxyethyl]azetidin-2-one
SMILESC[C@@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H]1CNC1=O
InChIInChI=1S/C23H23NO2Si/c1-18(22-17-24-23(22)25)26-27(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22H,17H2,1H3,(H,24,25)/t18-,22+/m1/s1
InChIKeyTVHILPYPSMAUAE-GCJKJVERSA-N
XLogP1.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3S)-3-[(1R)-1-triphenylsilyloxyethyl]azetidin-2-one?
The IUPAC name of (3S)-3-[(1R)-1-triphenylsilyloxyethyl]azetidin-2-one (CID 57284837) is (3S)-3-[(1R)-1-triphenylsilyloxyethyl]azetidin-2-one.
What is the SMILES notation for (3S)-3-[(1R)-1-triphenylsilyloxyethyl]azetidin-2-one?
The canonical SMILES for (3S)-3-[(1R)-1-triphenylsilyloxyethyl]azetidin-2-one is C[C@@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H]1CNC1=O.
What is the InChIKey of (3S)-3-[(1R)-1-triphenylsilyloxyethyl]azetidin-2-one?
The InChIKey is TVHILPYPSMAUAE-GCJKJVERSA-N. The full InChI is InChI=1S/C23H23NO2Si/c1-18(22-17-24-23(22)25)26-27(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22H,17H2,1H3,(H,24,25)/t18-,22+/m1/s1.
What are the key properties of (3S)-3-[(1R)-1-triphenylsilyloxyethyl]azetidin-2-one?
(3S)-3-[(1R)-1-triphenylsilyloxyethyl]azetidin-2-one has a molecular weight of 373.53 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-triphenylsilyloxyethyl]azetidin-2-one is sourced from PubChem (CID 57284837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).