(3S,4S)-4-ethoxy-1-methyl-3-triphenylsilylazetidin-2-one

C24H25NO2Si — CID 134919390

IUPAC(3S,4S)-4-ethoxy-1-methyl-3-triphenylsilylazetidin-2-one
SMILESCCO[C@H]1[C@H]([Si](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N1C
InChIInChI=1S/C24H25NO2Si/c1-3-27-24-22(23(26)25(24)2)28(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18,22,24H,3H2,1-2H3/t22-,24+/m1/s1
InChIKeyIRJYMLZDXDCXMO-VWNXMTODSA-N
MW387.56 g/mol
LogP2.36
Rot. Bonds6

About (3S,4S)-4-ethoxy-1-methyl-3-triphenylsilylazetidin-2-one

(3S,4S)-4-ethoxy-1-methyl-3-triphenylsilylazetidin-2-one (PubChem CID 134919390) has the molecular formula C24H25NO2Si and a molecular weight of 387.56 g/mol. Its IUPAC name is (3S,4S)-4-ethoxy-1-methyl-3-triphenylsilylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-4-ethoxy-1-methyl-3-triphenylsilylazetidin-2-one
PubChem CID134919390
Molecular FormulaC24H25NO2Si
Molecular Weight387.56 g/mol
Exact Mass387.17
IUPAC Name(3S,4S)-4-ethoxy-1-methyl-3-triphenylsilylazetidin-2-one
SMILESCCO[C@H]1[C@H]([Si](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N1C
InChIInChI=1S/C24H25NO2Si/c1-3-27-24-22(23(26)25(24)2)28(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18,22,24H,3H2,1-2H3/t22-,24+/m1/s1
InChIKeyIRJYMLZDXDCXMO-VWNXMTODSA-N
XLogP2.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.56
LogP ≤ 52.36
H-Bond Donors ≤ 50
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,4S)-4-ethoxy-1-methyl-3-triphenylsilylazetidin-2-one?
The IUPAC name of (3S,4S)-4-ethoxy-1-methyl-3-triphenylsilylazetidin-2-one (CID 134919390) is (3S,4S)-4-ethoxy-1-methyl-3-triphenylsilylazetidin-2-one.
What is the SMILES notation for (3S,4S)-4-ethoxy-1-methyl-3-triphenylsilylazetidin-2-one?
The canonical SMILES for (3S,4S)-4-ethoxy-1-methyl-3-triphenylsilylazetidin-2-one is CCO[C@H]1[C@H]([Si](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N1C.
What is the InChIKey of (3S,4S)-4-ethoxy-1-methyl-3-triphenylsilylazetidin-2-one?
The InChIKey is IRJYMLZDXDCXMO-VWNXMTODSA-N. The full InChI is InChI=1S/C24H25NO2Si/c1-3-27-24-22(23(26)25(24)2)28(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18,22,24H,3H2,1-2H3/t22-,24+/m1/s1.
What are the key properties of (3S,4S)-4-ethoxy-1-methyl-3-triphenylsilylazetidin-2-one?
(3S,4S)-4-ethoxy-1-methyl-3-triphenylsilylazetidin-2-one has a molecular weight of 387.56 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-ethoxy-1-methyl-3-triphenylsilylazetidin-2-one is sourced from PubChem (CID 134919390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).