[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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Related Compounds

[(2R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
CID 123285270
[(2R,3R)-4-oxo-3-[(1R)-1-silyloxyethyl]azetidin-2-yl] acetate
CID 173351934
[(2R)-3-[1-(2,3-dimethylbutan-2-ylsilyloxy)ethyl]-4-oxoazetidin-2-yl] acetate
CID 173351966
[(2R,3R)-3-[1-(2,3-dimethylbutan-2-ylsilyloxy)ethyl]-4-oxoazetidin-2-yl] acetate
CID 173253870
CID 68821757
CID 68821757
[4-oxo-3-(2,2,4-trimethyl-4-silyloxypentan-3-yl)azetidin-2-yl] acetate
CID 123813646
[3-(1-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-4-oxoazetidin-2-yl] acetate
CID 173232100
[(2R,3R)-4-oxo-3-(1-tributylsilyloxyethyl)azetidin-2-yl] acetate
CID 71728262
[4-oxo-3-[1-(2,2,2-trichloroethoxycarbonyloxy)ethyl]azetidin-2-yl] acetate
CID 13491540
tert-butyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]benzoate;[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
CID 160640443
[(2R,3R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 2-methylpropanoate
CID 67642904
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[3-(2-hydroxyethyl)phenyl]-2-oxoethyl]azetidin-2-one;[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
CID 157152188

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).