(3R,4R)-3-hydroxy-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one

C11H19NO2Si — CID 15419100

IUPAC(3R,4R)-3-hydroxy-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one
SMILESCC(C)[C@]1(O)C(=O)N[C@@H]1C#C[Si](C)(C)C
InChIInChI=1S/C11H19NO2Si/c1-8(2)11(14)9(12-10(11)13)6-7-15(3,4)5/h8-9,14H,1-5H3,(H,12,13)/t9-,11-/m1/s1
InChIKeyXHCWHAOOYRWDKR-MWLCHTKSSA-N
MW225.36 g/mol
LogP0.75
Rot. Bonds1

About (3R,4R)-3-hydroxy-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one

(3R,4R)-3-hydroxy-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one (PubChem CID 15419100) has the molecular formula C11H19NO2Si and a molecular weight of 225.36 g/mol. Its IUPAC name is (3R,4R)-3-hydroxy-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-hydroxy-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one
PubChem CID15419100
Molecular FormulaC11H19NO2Si
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name(3R,4R)-3-hydroxy-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one
SMILESCC(C)[C@]1(O)C(=O)N[C@@H]1C#C[Si](C)(C)C
InChIInChI=1S/C11H19NO2Si/c1-8(2)11(14)9(12-10(11)13)6-7-15(3,4)5/h8-9,14H,1-5H3,(H,12,13)/t9-,11-/m1/s1
InChIKeyXHCWHAOOYRWDKR-MWLCHTKSSA-N
XLogP0.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-Hydroxy-1-methylethyl)-4-trimethylsilylethynyl-2-azetidinone
CID 20034791
(3R,4R)-3-(2-hydroxypropan-2-yl)-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 172723544
(3R)-3-methyl-4-(2-trimethylsilylethynyl)-3-trimethylsilyloxyazetidin-2-one
CID 10754471
(3R)-3-propan-2-yl-4-(2-trimethylsilylethynyl)-3-trimethylsilyloxyazetidin-2-one
CID 10851569
(3R,4R)-3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 15419098
(3R,4S)-3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 15419099
(3R,4S)-3-hydroxy-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 15419101
3-Hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 130020130

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-hydroxy-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one?
The IUPAC name of (3R,4R)-3-hydroxy-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one (CID 15419100) is (3R,4R)-3-hydroxy-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-hydroxy-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one?
The canonical SMILES for (3R,4R)-3-hydroxy-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one is CC(C)[C@]1(O)C(=O)N[C@@H]1C#C[Si](C)(C)C.
What is the InChIKey of (3R,4R)-3-hydroxy-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one?
The InChIKey is XHCWHAOOYRWDKR-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H19NO2Si/c1-8(2)11(14)9(12-10(11)13)6-7-15(3,4)5/h8-9,14H,1-5H3,(H,12,13)/t9-,11-/m1/s1.
What are the key properties of (3R,4R)-3-hydroxy-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one?
(3R,4R)-3-hydroxy-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one has a molecular weight of 225.36 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-hydroxy-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one is sourced from PubChem (CID 15419100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).