(3S,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one

C10H17NO2Si — CID 13219647

IUPAC(3S,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one
SMILESC[C@H](O)[C@H]1C(=O)N[C@H]1C#C[Si](C)(C)C
InChIInChI=1S/C10H17NO2Si/c1-7(12)9-8(11-10(9)13)5-6-14(2,3)4/h7-9,12H,1-4H3,(H,11,13)/t7-,8-,9+/m0/s1
InChIKeyJNUKXXBVUJDUDV-XHNCKOQMSA-N
MW211.34 g/mol
LogP0.36
Rot. Bonds1

About (3S,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one

(3S,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one (PubChem CID 13219647) has the molecular formula C10H17NO2Si and a molecular weight of 211.34 g/mol. Its IUPAC name is (3S,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one
PubChem CID13219647
Molecular FormulaC10H17NO2Si
Molecular Weight211.34 g/mol
Exact Mass211.10
IUPAC Name(3S,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one
SMILESC[C@H](O)[C@H]1C(=O)N[C@H]1C#C[Si](C)(C)C
InChIInChI=1S/C10H17NO2Si/c1-7(12)9-8(11-10(9)13)5-6-14(2,3)4/h7-9,12H,1-4H3,(H,11,13)/t7-,8-,9+/m0/s1
InChIKeyJNUKXXBVUJDUDV-XHNCKOQMSA-N
XLogP0.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.34
LogP ≤ 50.36
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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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one?
The IUPAC name of (3S,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one (CID 13219647) is (3S,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one?
The canonical SMILES for (3S,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one is C[C@H](O)[C@H]1C(=O)N[C@H]1C#C[Si](C)(C)C.
What is the InChIKey of (3S,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one?
The InChIKey is JNUKXXBVUJDUDV-XHNCKOQMSA-N. The full InChI is InChI=1S/C10H17NO2Si/c1-7(12)9-8(11-10(9)13)5-6-14(2,3)4/h7-9,12H,1-4H3,(H,11,13)/t7-,8-,9+/m0/s1.
What are the key properties of (3S,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one?
(3S,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one has a molecular weight of 211.34 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one is sourced from PubChem (CID 13219647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).