ethyl 2-[(2S,3S)-1-tert-butyl-3-[1-(2,2-dimethylpropylsilyloxy)ethyl]-3-dimethylsilyl-4-oxoazetidin-2-yl]propanoate

C21H43NO4Si2 — CID 173373107

IUPACethyl 2-[(2S,3S)-1-tert-butyl-3-[1-(2,2-dimethylpropylsilyloxy)ethyl]-3-dimethylsilyl-4-oxoazetidin-2-yl]propanoate
SMILESCCOC(=O)C(C)[C@@H]1N(C(C)(C)C)C(=O)[C@]1(C(C)O[SiH2]CC(C)(C)C)[SiH](C)C
InChIInChI=1S/C21H43NO4Si2/c1-12-25-17(23)14(2)16-21(28(10)11,18(24)22(16)20(7,8)9)15(3)26-27-13-19(4,5)6/h14-16,28H,12-13,27H2,1-11H3/t14?,15?,16-,21+/m0/s1
InChIKeyXXJNWURWCJQYER-SQDGQLNESA-N
MW429.75 g/mol
LogP3.38
Rot. Bonds8

About ethyl 2-[(2S,3S)-1-tert-butyl-3-[1-(2,2-dimethylpropylsilyloxy)ethyl]-3-dimethylsilyl-4-oxoazetidin-2-yl]propanoate

ethyl 2-[(2S,3S)-1-tert-butyl-3-[1-(2,2-dimethylpropylsilyloxy)ethyl]-3-dimethylsilyl-4-oxoazetidin-2-yl]propanoate (PubChem CID 173373107) has the molecular formula C21H43NO4Si2 and a molecular weight of 429.75 g/mol. Its IUPAC name is ethyl 2-[(2S,3S)-1-tert-butyl-3-[1-(2,2-dimethylpropylsilyloxy)ethyl]-3-dimethylsilyl-4-oxoazetidin-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2S,3S)-1-tert-butyl-3-[1-(2,2-dimethylpropylsilyloxy)ethyl]-3-dimethylsilyl-4-oxoazetidin-2-yl]propanoate
PubChem CID173373107
Molecular FormulaC21H43NO4Si2
Molecular Weight429.75 g/mol
Exact Mass429.27
IUPAC Nameethyl 2-[(2S,3S)-1-tert-butyl-3-[1-(2,2-dimethylpropylsilyloxy)ethyl]-3-dimethylsilyl-4-oxoazetidin-2-yl]propanoate
SMILESCCOC(=O)C(C)[C@@H]1N(C(C)(C)C)C(=O)[C@]1(C(C)O[SiH2]CC(C)(C)C)[SiH](C)C
InChIInChI=1S/C21H43NO4Si2/c1-12-25-17(23)14(2)16-21(28(10)11,18(24)22(16)20(7,8)9)15(3)26-27-13-19(4,5)6/h14-16,28H,12-13,27H2,1-11H3/t14?,15?,16-,21+/m0/s1
InChIKeyXXJNWURWCJQYER-SQDGQLNESA-N
XLogP3.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.75
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-(2,4,6-trioxo-1,3-diazinan-5-yl)propanoate
CID 86699673
ethyl (2R)-2,3,3-trimethylbutanoate
CID 59132263
[(2S,3S)-3-amino-1-tert-butyl-3-dimethylsilyl-4-oxoazetidin-2-yl] acetate
CID 173396084
(3R,4R)-1-tert-butyl-3-dimethylsilyl-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-trimethylsilyloxyazetidin-2-one
CID 173386173
tert-butyl 3-[(2R)-1-ethoxy-1-oxopropan-2-yl]azetidine-1-carboxylate
CID 97300225
ethyl (2R)-2-bromopropanoate
CID 7003709
ethyl 2-piperazin-2-ylpropanoate
CID 175230129
ethyl 3,3-dimethyl-2-propan-2-ylbutanoate
CID 523552
ethyl 2-cyclopentylpropanoate
CID 10654733
4-O-tert-butyl 1-O-ethyl 2-oxo-3-propan-2-ylbutanedioate
CID 10015373
ethyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 642623
ethyl 2-(2,3-ditert-butyl-4-oxo-1,3-thiazolidin-5-yl)acetate
CID 130399731

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S,3S)-1-tert-butyl-3-[1-(2,2-dimethylpropylsilyloxy)ethyl]-3-dimethylsilyl-4-oxoazetidin-2-yl]propanoate?
The IUPAC name of ethyl 2-[(2S,3S)-1-tert-butyl-3-[1-(2,2-dimethylpropylsilyloxy)ethyl]-3-dimethylsilyl-4-oxoazetidin-2-yl]propanoate (CID 173373107) is ethyl 2-[(2S,3S)-1-tert-butyl-3-[1-(2,2-dimethylpropylsilyloxy)ethyl]-3-dimethylsilyl-4-oxoazetidin-2-yl]propanoate.
What is the SMILES notation for ethyl 2-[(2S,3S)-1-tert-butyl-3-[1-(2,2-dimethylpropylsilyloxy)ethyl]-3-dimethylsilyl-4-oxoazetidin-2-yl]propanoate?
The canonical SMILES for ethyl 2-[(2S,3S)-1-tert-butyl-3-[1-(2,2-dimethylpropylsilyloxy)ethyl]-3-dimethylsilyl-4-oxoazetidin-2-yl]propanoate is CCOC(=O)C(C)[C@@H]1N(C(C)(C)C)C(=O)[C@]1(C(C)O[SiH2]CC(C)(C)C)[SiH](C)C.
What is the InChIKey of ethyl 2-[(2S,3S)-1-tert-butyl-3-[1-(2,2-dimethylpropylsilyloxy)ethyl]-3-dimethylsilyl-4-oxoazetidin-2-yl]propanoate?
The InChIKey is XXJNWURWCJQYER-SQDGQLNESA-N. The full InChI is InChI=1S/C21H43NO4Si2/c1-12-25-17(23)14(2)16-21(28(10)11,18(24)22(16)20(7,8)9)15(3)26-27-13-19(4,5)6/h14-16,28H,12-13,27H2,1-11H3/t14?,15?,16-,21+/m0/s1.
What are the key properties of ethyl 2-[(2S,3S)-1-tert-butyl-3-[1-(2,2-dimethylpropylsilyloxy)ethyl]-3-dimethylsilyl-4-oxoazetidin-2-yl]propanoate?
ethyl 2-[(2S,3S)-1-tert-butyl-3-[1-(2,2-dimethylpropylsilyloxy)ethyl]-3-dimethylsilyl-4-oxoazetidin-2-yl]propanoate has a molecular weight of 429.75 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S,3S)-1-tert-butyl-3-[1-(2,2-dimethylpropylsilyloxy)ethyl]-3-dimethylsilyl-4-oxoazetidin-2-yl]propanoate is sourced from PubChem (CID 173373107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).