tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylaziridine-1-carboxylate

C20H33NO3Si — CID 10761228

IUPACtert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylaziridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1c1ccccc1
InChIInChI=1S/C20H33NO3Si/c1-19(2,3)24-18(22)21-16(14-23-25(7,8)20(4,5)6)17(21)15-12-10-9-11-13-15/h9-13,16-17H,14H2,1-8H3/t16-,17-,21?/m1/s1
InChIKeyHLUDKYWSLPTHOV-LJMNQJIDSA-N
MW363.57 g/mol
LogP5.37
Rot. Bonds4

About tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylaziridine-1-carboxylate

tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylaziridine-1-carboxylate (PubChem CID 10761228) has the molecular formula C20H33NO3Si and a molecular weight of 363.57 g/mol. Its IUPAC name is tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylaziridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylaziridine-1-carboxylate
PubChem CID10761228
Molecular FormulaC20H33NO3Si
Molecular Weight363.57 g/mol
Exact Mass363.22
IUPAC Nametert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylaziridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1c1ccccc1
InChIInChI=1S/C20H33NO3Si/c1-19(2,3)24-18(22)21-16(14-23-25(7,8)20(4,5)6)17(21)15-12-10-9-11-13-15/h9-13,16-17H,14H2,1-8H3/t16-,17-,21?/m1/s1
InChIKeyHLUDKYWSLPTHOV-LJMNQJIDSA-N
XLogP5.37
TPSA38.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.57
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S,4R)-2-(4-fluorophenyl)-4-tri(propan-2-yl)silyloxypiperidine-1-carboxylate
CID 53242249
[(2S,3R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 23243952
[(2S,3R)-1-benzyl-3-phenylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 102014997
[(2R,3R)-1-benzyl-3-methylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10891631
tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-(trifluoromethyl)phenyl]aziridine-1-carboxylate
CID 57634016
(4R)-tert-butyl 4-(tert-butyldimethylsilyloxy)-2-(3-fluorophenyl)pyrrolidine-1-carboxylate
CID 66684243
Tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)pyrrolidine-1-carboxylate
CID 66689020
Tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)pyrrolidine-1-carboxylate
CID 66690049
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)pyrrolidine-1-carboxylate
CID 66690050
Tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-(trifluoromethyl)phenyl]aziridine-1-carboxylate
CID 76571231
(2R,3R)-tert-butyl 2-((tert-butyldimethylsilyloxy)methyl)-3-(4-(trifluoromethyl)phenyl)aziridine-1-carboxylate
CID 86613771
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-(trifluoromethyl)phenyl]aziridine-1-carboxylic acid
CID 87263958

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylaziridine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylaziridine-1-carboxylate (CID 10761228) is tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylaziridine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylaziridine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylaziridine-1-carboxylate is CC(C)(C)OC(=O)N1[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1c1ccccc1.
What is the InChIKey of tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylaziridine-1-carboxylate?
The InChIKey is HLUDKYWSLPTHOV-LJMNQJIDSA-N. The full InChI is InChI=1S/C20H33NO3Si/c1-19(2,3)24-18(22)21-16(14-23-25(7,8)20(4,5)6)17(21)15-12-10-9-11-13-15/h9-13,16-17H,14H2,1-8H3/t16-,17-,21?/m1/s1.
What are the key properties of tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylaziridine-1-carboxylate?
tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylaziridine-1-carboxylate has a molecular weight of 363.57 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylaziridine-1-carboxylate is sourced from PubChem (CID 10761228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).