(3S,4R)-1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-[(1S)-1-hydroxy-3-phenylpropyl]azetidin-2-one

C20H31NO2Si — CID 15137352

IUPAC(3S,4R)-1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-[(1S)-1-hydroxy-3-phenylpropyl]azetidin-2-one
SMILESC=C[C@@H]1[C@@H]([C@@H](O)CCc2ccccc2)C(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H31NO2Si/c1-7-16-18(17(22)14-13-15-11-9-8-10-12-15)19(23)21(16)24(5,6)20(2,3)4/h7-12,16-18,22H,1,13-14H2,2-6H3/t16-,17+,18+/m1/s1
InChIKeySDYDVTMLRLMDFW-SQNIBIBYSA-N
MW345.56 g/mol
LogP4.00
Rot. Bonds6

About (3S,4R)-1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-[(1S)-1-hydroxy-3-phenylpropyl]azetidin-2-one

(3S,4R)-1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-[(1S)-1-hydroxy-3-phenylpropyl]azetidin-2-one (PubChem CID 15137352) has the molecular formula C20H31NO2Si and a molecular weight of 345.56 g/mol. Its IUPAC name is (3S,4R)-1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-[(1S)-1-hydroxy-3-phenylpropyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-[(1S)-1-hydroxy-3-phenylpropyl]azetidin-2-one
PubChem CID15137352
Molecular FormulaC20H31NO2Si
Molecular Weight345.56 g/mol
Exact Mass345.21
IUPAC Name(3S,4R)-1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-[(1S)-1-hydroxy-3-phenylpropyl]azetidin-2-one
SMILESC=C[C@@H]1[C@@H]([C@@H](O)CCc2ccccc2)C(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H31NO2Si/c1-7-16-18(17(22)14-13-15-11-9-8-10-12-15)19(23)21(16)24(5,6)20(2,3)4/h7-12,16-18,22H,1,13-14H2,2-6H3/t16-,17+,18+/m1/s1
InChIKeySDYDVTMLRLMDFW-SQNIBIBYSA-N
XLogP4.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.56
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-[(1S)-1-hydroxy-3-phenylpropyl]azetidin-2-one?
The IUPAC name of (3S,4R)-1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-[(1S)-1-hydroxy-3-phenylpropyl]azetidin-2-one (CID 15137352) is (3S,4R)-1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-[(1S)-1-hydroxy-3-phenylpropyl]azetidin-2-one.
What is the SMILES notation for (3S,4R)-1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-[(1S)-1-hydroxy-3-phenylpropyl]azetidin-2-one?
The canonical SMILES for (3S,4R)-1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-[(1S)-1-hydroxy-3-phenylpropyl]azetidin-2-one is C=C[C@@H]1[C@@H]([C@@H](O)CCc2ccccc2)C(=O)N1[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R)-1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-[(1S)-1-hydroxy-3-phenylpropyl]azetidin-2-one?
The InChIKey is SDYDVTMLRLMDFW-SQNIBIBYSA-N. The full InChI is InChI=1S/C20H31NO2Si/c1-7-16-18(17(22)14-13-15-11-9-8-10-12-15)19(23)21(16)24(5,6)20(2,3)4/h7-12,16-18,22H,1,13-14H2,2-6H3/t16-,17+,18+/m1/s1.
What are the key properties of (3S,4R)-1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-[(1S)-1-hydroxy-3-phenylpropyl]azetidin-2-one?
(3S,4R)-1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-[(1S)-1-hydroxy-3-phenylpropyl]azetidin-2-one has a molecular weight of 345.56 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-[(1S)-1-hydroxy-3-phenylpropyl]azetidin-2-one is sourced from PubChem (CID 15137352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).