[3-[(2S)-4-[hydroxy(dimethyl)silyl]-4-methylpentan-2-yl]-4-oxoazetidin-2-yl] acetate

C13H25NO4Si — CID 70651635

IUPAC[3-[(2S)-4-[hydroxy(dimethyl)silyl]-4-methylpentan-2-yl]-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)OC1NC(=O)C1[C@@H](C)CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C13H25NO4Si/c1-8(7-13(3,4)19(5,6)17)10-11(16)14-12(10)18-9(2)15/h8,10,12,17H,7H2,1-6H3,(H,14,16)/t8-,10?,12?/m0/s1
InChIKeyVMRFIRLBGOKYHN-JNHNWMDNSA-N
MW287.43 g/mol
LogP1.63
Rot. Bonds5

About [3-[(2S)-4-[hydroxy(dimethyl)silyl]-4-methylpentan-2-yl]-4-oxoazetidin-2-yl] acetate

[3-[(2S)-4-[hydroxy(dimethyl)silyl]-4-methylpentan-2-yl]-4-oxoazetidin-2-yl] acetate (PubChem CID 70651635) has the molecular formula C13H25NO4Si and a molecular weight of 287.43 g/mol. Its IUPAC name is [3-[(2S)-4-[hydroxy(dimethyl)silyl]-4-methylpentan-2-yl]-4-oxoazetidin-2-yl] acetate.

Molecular Properties

Compound Name[3-[(2S)-4-[hydroxy(dimethyl)silyl]-4-methylpentan-2-yl]-4-oxoazetidin-2-yl] acetate
PubChem CID70651635
Molecular FormulaC13H25NO4Si
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name[3-[(2S)-4-[hydroxy(dimethyl)silyl]-4-methylpentan-2-yl]-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)OC1NC(=O)C1[C@@H](C)CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C13H25NO4Si/c1-8(7-13(3,4)19(5,6)17)10-11(16)14-12(10)18-9(2)15/h8,10,12,17H,7H2,1-6H3,(H,14,16)/t8-,10?,12?/m0/s1
InChIKeyVMRFIRLBGOKYHN-JNHNWMDNSA-N
XLogP1.63
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[(2S)-4-[hydroxy(dimethyl)silyl]-4-methylpentan-2-yl]-4-oxoazetidin-2-yl] acetate?
The IUPAC name of [3-[(2S)-4-[hydroxy(dimethyl)silyl]-4-methylpentan-2-yl]-4-oxoazetidin-2-yl] acetate (CID 70651635) is [3-[(2S)-4-[hydroxy(dimethyl)silyl]-4-methylpentan-2-yl]-4-oxoazetidin-2-yl] acetate.
What is the SMILES notation for [3-[(2S)-4-[hydroxy(dimethyl)silyl]-4-methylpentan-2-yl]-4-oxoazetidin-2-yl] acetate?
The canonical SMILES for [3-[(2S)-4-[hydroxy(dimethyl)silyl]-4-methylpentan-2-yl]-4-oxoazetidin-2-yl] acetate is CC(=O)OC1NC(=O)C1[C@@H](C)CC(C)(C)[Si](C)(C)O.
What is the InChIKey of [3-[(2S)-4-[hydroxy(dimethyl)silyl]-4-methylpentan-2-yl]-4-oxoazetidin-2-yl] acetate?
The InChIKey is VMRFIRLBGOKYHN-JNHNWMDNSA-N. The full InChI is InChI=1S/C13H25NO4Si/c1-8(7-13(3,4)19(5,6)17)10-11(16)14-12(10)18-9(2)15/h8,10,12,17H,7H2,1-6H3,(H,14,16)/t8-,10?,12?/m0/s1.
What are the key properties of [3-[(2S)-4-[hydroxy(dimethyl)silyl]-4-methylpentan-2-yl]-4-oxoazetidin-2-yl] acetate?
[3-[(2S)-4-[hydroxy(dimethyl)silyl]-4-methylpentan-2-yl]-4-oxoazetidin-2-yl] acetate has a molecular weight of 287.43 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2S)-4-[hydroxy(dimethyl)silyl]-4-methylpentan-2-yl]-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 70651635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).