ethyl (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridine-2-carboxylate

C12H25NO3Si — CID 10587385

IUPACethyl (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridine-2-carboxylate
SMILESCCOC(=O)[C@@H]1N[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25NO3Si/c1-7-15-11(14)10-9(13-10)8-16-17(5,6)12(2,3)4/h9-10,13H,7-8H2,1-6H3/t9-,10+/m0/s1
InChIKeyDAEHKIUTEOCDAP-VHSXEESVSA-N
MW259.42 g/mol
LogP1.91
Rot. Bonds5

About ethyl (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridine-2-carboxylate

ethyl (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridine-2-carboxylate (PubChem CID 10587385) has the molecular formula C12H25NO3Si and a molecular weight of 259.42 g/mol. Its IUPAC name is ethyl (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridine-2-carboxylate
PubChem CID10587385
Molecular FormulaC12H25NO3Si
Molecular Weight259.42 g/mol
Exact Mass259.16
IUPAC Nameethyl (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridine-2-carboxylate
SMILESCCOC(=O)[C@@H]1N[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25NO3Si/c1-7-15-11(14)10-9(13-10)8-16-17(5,6)12(2,3)4/h9-10,13H,7-8H2,1-6H3/t9-,10+/m0/s1
InChIKeyDAEHKIUTEOCDAP-VHSXEESVSA-N
XLogP1.91
TPSA57.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridine-2-carboxylate?
The IUPAC name of ethyl (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridine-2-carboxylate (CID 10587385) is ethyl (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridine-2-carboxylate.
What is the SMILES notation for ethyl (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridine-2-carboxylate?
The canonical SMILES for ethyl (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridine-2-carboxylate is CCOC(=O)[C@@H]1N[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridine-2-carboxylate?
The InChIKey is DAEHKIUTEOCDAP-VHSXEESVSA-N. The full InChI is InChI=1S/C12H25NO3Si/c1-7-15-11(14)10-9(13-10)8-16-17(5,6)12(2,3)4/h9-10,13H,7-8H2,1-6H3/t9-,10+/m0/s1.
What are the key properties of ethyl (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridine-2-carboxylate?
ethyl (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridine-2-carboxylate has a molecular weight of 259.42 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridine-2-carboxylate is sourced from PubChem (CID 10587385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).