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

C10H17NO2Si — CID 13219648

IUPAC(3R,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-CIUDSAMLSA-N
MW211.34 g/mol
LogP0.36
Rot. Bonds1

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

(3R,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one (PubChem CID 13219648) has the molecular formula C10H17NO2Si and a molecular weight of 211.34 g/mol. Its IUPAC name is (3R,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one
PubChem CID13219648
Molecular FormulaC10H17NO2Si
Molecular Weight211.34 g/mol
Exact Mass211.10
IUPAC Name(3R,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-CIUDSAMLSA-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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Related Compounds

(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-ynylazetidin-2-one
CID 12162951
(4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethynylazetidin-2-one
CID 134855252
(3S,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-but-3-yn-2-ylazetidin-2-one
CID 134904739
(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-ynylazetidin-2-one
CID 134918415
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-but-3-yn-2-ylazetidin-2-one
CID 10880523
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2S)-but-3-yn-2-yl]azetidin-2-one
CID 10923988
3-(1-Hydroxyethyl)-4-(2-trimethylsilylethynyl)-2-azetidinone
CID 13219644
(3R,4S)-3-(1-hydroxyethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 13219645
(3R,4R)-3-(1-hydroxyethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 13219646
(3S,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 13219647
4-Ethynyl-3-(1-hydroxyethyl)azetidin-2-one
CID 13219677
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-but-3-yn-2-yl]azetidin-2-one
CID 13842340

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one?
The IUPAC name of (3R,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one (CID 13219648) is (3R,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one?
The canonical SMILES for (3R,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 (3R,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one?
The InChIKey is JNUKXXBVUJDUDV-CIUDSAMLSA-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 (3R,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one?
(3R,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 (3R,4R)-3-[(1S)-1-hydroxyethyl]-4-(2-trimethylsilylethynyl)azetidin-2-one is sourced from PubChem (CID 13219648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).