ethyl (2R,3R)-2-butyl-3-trimethylsilylaziridine-1-carboxylate

C12H25NO2Si — CID 10705413

IUPACethyl (2R,3R)-2-butyl-3-trimethylsilylaziridine-1-carboxylate
SMILESCCCC[C@@H]1[C@@H]([Si](C)(C)C)N1C(=O)OCC
InChIInChI=1S/C12H25NO2Si/c1-6-8-9-10-11(16(3,4)5)13(10)12(14)15-7-2/h10-11H,6-9H2,1-5H3/t10-,11-,13?/m1/s1
InChIKeyFWWNFIWYJGZQCX-KKPNGEORSA-N
MW243.42 g/mol
LogP3.26
Rot. Bonds5

About ethyl (2R,3R)-2-butyl-3-trimethylsilylaziridine-1-carboxylate

ethyl (2R,3R)-2-butyl-3-trimethylsilylaziridine-1-carboxylate (PubChem CID 10705413) has the molecular formula C12H25NO2Si and a molecular weight of 243.42 g/mol. Its IUPAC name is ethyl (2R,3R)-2-butyl-3-trimethylsilylaziridine-1-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R)-2-butyl-3-trimethylsilylaziridine-1-carboxylate
PubChem CID10705413
Molecular FormulaC12H25NO2Si
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Nameethyl (2R,3R)-2-butyl-3-trimethylsilylaziridine-1-carboxylate
SMILESCCCC[C@@H]1[C@@H]([Si](C)(C)C)N1C(=O)OCC
InChIInChI=1S/C12H25NO2Si/c1-6-8-9-10-11(16(3,4)5)13(10)12(14)15-7-2/h10-11H,6-9H2,1-5H3/t10-,11-,13?/m1/s1
InChIKeyFWWNFIWYJGZQCX-KKPNGEORSA-N
XLogP3.26
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-2-butyl-3-trimethylsilylaziridine-1-carboxylate?
The IUPAC name of ethyl (2R,3R)-2-butyl-3-trimethylsilylaziridine-1-carboxylate (CID 10705413) is ethyl (2R,3R)-2-butyl-3-trimethylsilylaziridine-1-carboxylate.
What is the SMILES notation for ethyl (2R,3R)-2-butyl-3-trimethylsilylaziridine-1-carboxylate?
The canonical SMILES for ethyl (2R,3R)-2-butyl-3-trimethylsilylaziridine-1-carboxylate is CCCC[C@@H]1[C@@H]([Si](C)(C)C)N1C(=O)OCC.
What is the InChIKey of ethyl (2R,3R)-2-butyl-3-trimethylsilylaziridine-1-carboxylate?
The InChIKey is FWWNFIWYJGZQCX-KKPNGEORSA-N. The full InChI is InChI=1S/C12H25NO2Si/c1-6-8-9-10-11(16(3,4)5)13(10)12(14)15-7-2/h10-11H,6-9H2,1-5H3/t10-,11-,13?/m1/s1.
What are the key properties of ethyl (2R,3R)-2-butyl-3-trimethylsilylaziridine-1-carboxylate?
ethyl (2R,3R)-2-butyl-3-trimethylsilylaziridine-1-carboxylate has a molecular weight of 243.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-2-butyl-3-trimethylsilylaziridine-1-carboxylate is sourced from PubChem (CID 10705413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).