(3R,4S)-3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one

C9H15NO2Si — CID 15419099

IUPAC(3R,4S)-3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one
SMILESC[C@]1(O)C(=O)N[C@H]1C#C[Si](C)(C)C
InChIInChI=1S/C9H15NO2Si/c1-9(12)7(10-8(9)11)5-6-13(2,3)4/h7,12H,1-4H3,(H,10,11)/t7-,9+/m0/s1
InChIKeyIJWQXZIVWRLNAV-IONNQARKSA-N
MW197.31 g/mol
LogP0.12
Rot. Bonds

About (3R,4S)-3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one

(3R,4S)-3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one (PubChem CID 15419099) has the molecular formula C9H15NO2Si and a molecular weight of 197.31 g/mol. Its IUPAC name is (3R,4S)-3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one
PubChem CID15419099
Molecular FormulaC9H15NO2Si
Molecular Weight197.31 g/mol
Exact Mass197.09
IUPAC Name(3R,4S)-3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one
SMILESC[C@]1(O)C(=O)N[C@H]1C#C[Si](C)(C)C
InChIInChI=1S/C9H15NO2Si/c1-9(12)7(10-8(9)11)5-6-13(2,3)4/h7,12H,1-4H3,(H,10,11)/t7-,9+/m0/s1
InChIKeyIJWQXZIVWRLNAV-IONNQARKSA-N
XLogP0.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 50.12
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

(3R)-3-methyl-4-(2-trimethylsilylethynyl)-3-trimethylsilyloxyazetidin-2-one
CID 10754471
(3R,4R)-3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 15419098
(3R,4R)-3-hydroxy-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 15419100
(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,4S)-3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one?
The IUPAC name of (3R,4S)-3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one (CID 15419099) is (3R,4S)-3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one is C[C@]1(O)C(=O)N[C@H]1C#C[Si](C)(C)C.
What is the InChIKey of (3R,4S)-3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one?
The InChIKey is IJWQXZIVWRLNAV-IONNQARKSA-N. The full InChI is InChI=1S/C9H15NO2Si/c1-9(12)7(10-8(9)11)5-6-13(2,3)4/h7,12H,1-4H3,(H,10,11)/t7-,9+/m0/s1.
What are the key properties of (3R,4S)-3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one?
(3R,4S)-3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one has a molecular weight of 197.31 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one is sourced from PubChem (CID 15419099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).