(2R)-2-[(2S,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]propanoyl chloride

C14H26ClNO3Si — CID 173324463

IUPAC(2R)-2-[(2S,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]propanoyl chloride
SMILESCC(C(=O)Cl)[C@H]1NC(=O)[C@@H]1[C@@](C)(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C14H26ClNO3Si/c1-8(11(15)17)10-9(12(18)16-10)14(5,13(2,3)4)19-20(6)7/h8-10,20H,1-7H3,(H,16,18)/t8?,9-,10-,14-/m1/s1
InChIKeyKHQNYHBHDJHOLT-KVDVHNCBSA-N
MW319.91 g/mol
LogP2.31
Rot. Bonds5

About (2R)-2-[(2S,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]propanoyl chloride

(2R)-2-[(2S,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]propanoyl chloride (PubChem CID 173324463) has the molecular formula C14H26ClNO3Si and a molecular weight of 319.91 g/mol. Its IUPAC name is (2R)-2-[(2S,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]propanoyl chloride.

Molecular Properties

Compound Name(2R)-2-[(2S,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]propanoyl chloride
PubChem CID173324463
Molecular FormulaC14H26ClNO3Si
Molecular Weight319.91 g/mol
Exact Mass319.14
IUPAC Name(2R)-2-[(2S,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]propanoyl chloride
SMILESCC(C(=O)Cl)[C@H]1NC(=O)[C@@H]1[C@@](C)(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C14H26ClNO3Si/c1-8(11(15)17)10-9(12(18)16-10)14(5,13(2,3)4)19-20(6)7/h8-10,20H,1-7H3,(H,16,18)/t8?,9-,10-,14-/m1/s1
InChIKeyKHQNYHBHDJHOLT-KVDVHNCBSA-N
XLogP2.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.91
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]propanoyl chloride?
The IUPAC name of (2R)-2-[(2S,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]propanoyl chloride (CID 173324463) is (2R)-2-[(2S,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]propanoyl chloride.
What is the SMILES notation for (2R)-2-[(2S,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]propanoyl chloride?
The canonical SMILES for (2R)-2-[(2S,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]propanoyl chloride is CC(C(=O)Cl)[C@H]1NC(=O)[C@@H]1[C@@](C)(O[SiH](C)C)C(C)(C)C.
What is the InChIKey of (2R)-2-[(2S,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]propanoyl chloride?
The InChIKey is KHQNYHBHDJHOLT-KVDVHNCBSA-N. The full InChI is InChI=1S/C14H26ClNO3Si/c1-8(11(15)17)10-9(12(18)16-10)14(5,13(2,3)4)19-20(6)7/h8-10,20H,1-7H3,(H,16,18)/t8?,9-,10-,14-/m1/s1.
What are the key properties of (2R)-2-[(2S,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]propanoyl chloride?
(2R)-2-[(2S,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]propanoyl chloride has a molecular weight of 319.91 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]propanoyl chloride is sourced from PubChem (CID 173324463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).