[(2S,3S)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl] acetate

C11H22N2O3Si — CID 54259413

IUPAC[(2S,3S)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](N)C(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22N2O3Si/c1-7(14)16-10-8(12)9(15)13(10)17(5,6)11(2,3)4/h8,10H,12H2,1-6H3/t8-,10+/m1/s1
InChIKeyRCKOQDGLJNVEQS-SCZZXKLOSA-N
MW258.39 g/mol
LogP1.05
Rot. Bonds2

About [(2S,3S)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl] acetate

[(2S,3S)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl] acetate (PubChem CID 54259413) has the molecular formula C11H22N2O3Si and a molecular weight of 258.39 g/mol. Its IUPAC name is [(2S,3S)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl] acetate.

Molecular Properties

Compound Name[(2S,3S)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl] acetate
PubChem CID54259413
Molecular FormulaC11H22N2O3Si
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name[(2S,3S)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](N)C(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22N2O3Si/c1-7(14)16-10-8(12)9(15)13(10)17(5,6)11(2,3)4/h8,10H,12H2,1-6H3/t8-,10+/m1/s1
InChIKeyRCKOQDGLJNVEQS-SCZZXKLOSA-N
XLogP1.05
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-(hydroxymethyl)azetidin-2-one
CID 18632702
acetic acid;(2S,3S)-2-acetyloxy-3-amino-4-oxoazetidine-1-sulfonic acid
CID 70390525
(2S,3S)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid
CID 10421900
(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid
CID 10037438
[(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate
CID 15428308
[1-[tert-butyl(dimethyl)silyl]-3-(ethanethioylamino)-4-oxo-3-phenylazetidin-2-yl] acetate
CID 19697095
tert-butyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate
CID 11372630
tert-butyl (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethenyl-4-oxoazetidine-2-carboxylate
CID 12972862
(3-amino-1-methyl-4-oxoazetidin-2-yl) carbamate
CID 152516831
2-[1-[tert-butyl(dimethyl)silyl]-2-methyl-4-oxoazetidin-2-yl]ethyl acetate
CID 23461787
[3-tert-butyl-1-(1-dimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate
CID 173399167
[3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclohexyl] acetate
CID 21335008

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl] acetate?
The IUPAC name of [(2S,3S)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl] acetate (CID 54259413) is [(2S,3S)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl] acetate.
What is the SMILES notation for [(2S,3S)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl] acetate?
The canonical SMILES for [(2S,3S)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl] acetate is CC(=O)O[C@H]1[C@H](N)C(=O)N1[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,3S)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl] acetate?
The InChIKey is RCKOQDGLJNVEQS-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H22N2O3Si/c1-7(14)16-10-8(12)9(15)13(10)17(5,6)11(2,3)4/h8,10H,12H2,1-6H3/t8-,10+/m1/s1.
What are the key properties of [(2S,3S)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl] acetate?
[(2S,3S)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl] acetate has a molecular weight of 258.39 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 54259413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).