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

C11H22N2O3Si — CID 173396084

IUPAC[(2S,3S)-3-amino-1-tert-butyl-3-dimethylsilyl-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)O[C@@H]1N(C(C)(C)C)C(=O)[C@@]1(N)[SiH](C)C
InChIInChI=1S/C11H22N2O3Si/c1-7(14)16-9-11(12,17(5)6)8(15)13(9)10(2,3)4/h9,17H,12H2,1-6H3/t9-,11+/m0/s1
InChIKeyRBZWCNDRWWFJAS-GXSJLCMTSA-N
MW258.39 g/mol
LogP0.24
Rot. Bonds2

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

[(2S,3S)-3-amino-1-tert-butyl-3-dimethylsilyl-4-oxoazetidin-2-yl] acetate (PubChem CID 173396084) 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-3-dimethylsilyl-4-oxoazetidin-2-yl] acetate.

Molecular Properties

Compound Name[(2S,3S)-3-amino-1-tert-butyl-3-dimethylsilyl-4-oxoazetidin-2-yl] acetate
PubChem CID173396084
Molecular FormulaC11H22N2O3Si
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name[(2S,3S)-3-amino-1-tert-butyl-3-dimethylsilyl-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)O[C@@H]1N(C(C)(C)C)C(=O)[C@@]1(N)[SiH](C)C
InChIInChI=1S/C11H22N2O3Si/c1-7(14)16-9-11(12,17(5)6)8(15)13(9)10(2,3)4/h9,17H,12H2,1-6H3/t9-,11+/m0/s1
InChIKeyRBZWCNDRWWFJAS-GXSJLCMTSA-N
XLogP0.24
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 ≤ 50.24
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

[(2S,3S)-1-tert-butyl-3-dimethylsilyl-4-oxo-3-[(2-phenylethanethioyl)amino]azetidin-2-yl] acetate
CID 173328733
1-tert-butyl-3-dimethylsilyl-3-(2-hydroxyacetyl)-4-prop-2-enylazetidin-2-one
CID 173431753
[3-tert-butyl-1-(1-dimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate
CID 173399167
ethyl 2-[(2S,3S)-1-tert-butyl-3-[1-(2,2-dimethylpropylsilyloxy)ethyl]-3-dimethylsilyl-4-oxoazetidin-2-yl]propanoate
CID 173373107
[(2S,3S)-3-[(2-bromo-2-phenylacetyl)amino]-1-butyl-3-dimethylsilyl-4-oxoazetidin-2-yl] acetate
CID 154411034
ethyl 2-(2,3-ditert-butyl-4-oxo-1,3-thiazolidin-5-yl)acetate
CID 130399731
[(3R)-2,2-dimethyl-4-oxoazetidin-3-yl] acetate
CID 59991126
[(2S,3S)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl] acetate
CID 54259413
(3R,4R)-1-tert-butyl-3-dimethylsilyl-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-trimethylsilyloxyazetidin-2-one
CID 173386173
[1-[tert-butyl(dimethyl)silyl]-3-(ethanethioylamino)-4-oxo-3-phenylazetidin-2-yl] acetate
CID 19697095
ethyl 2-(2-tert-butyl-3-oxo-1H-isoindol-1-yl)acetate
CID 132520671
[(1S,3S,4R,6S,7R,9S)-3,4,6,7,9-pentaacetyloxy-2,3,4,5,6,7,8,9-octahydro-1H-cyclopenta[e]-as-indacen-1-yl] acetate
CID 98504176

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-amino-1-tert-butyl-3-dimethylsilyl-4-oxoazetidin-2-yl] acetate?
The IUPAC name of [(2S,3S)-3-amino-1-tert-butyl-3-dimethylsilyl-4-oxoazetidin-2-yl] acetate (CID 173396084) is [(2S,3S)-3-amino-1-tert-butyl-3-dimethylsilyl-4-oxoazetidin-2-yl] acetate.
What is the SMILES notation for [(2S,3S)-3-amino-1-tert-butyl-3-dimethylsilyl-4-oxoazetidin-2-yl] acetate?
The canonical SMILES for [(2S,3S)-3-amino-1-tert-butyl-3-dimethylsilyl-4-oxoazetidin-2-yl] acetate is CC(=O)O[C@@H]1N(C(C)(C)C)C(=O)[C@@]1(N)[SiH](C)C.
What is the InChIKey of [(2S,3S)-3-amino-1-tert-butyl-3-dimethylsilyl-4-oxoazetidin-2-yl] acetate?
The InChIKey is RBZWCNDRWWFJAS-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H22N2O3Si/c1-7(14)16-9-11(12,17(5)6)8(15)13(9)10(2,3)4/h9,17H,12H2,1-6H3/t9-,11+/m0/s1.
What are the key properties of [(2S,3S)-3-amino-1-tert-butyl-3-dimethylsilyl-4-oxoazetidin-2-yl] acetate?
[(2S,3S)-3-amino-1-tert-butyl-3-dimethylsilyl-4-oxoazetidin-2-yl] acetate has a molecular weight of 258.39 g/mol, XLogP of 0.24, 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-3-dimethylsilyl-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 173396084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).