dimethyl (2S,5S)-5-(2-trimethylsilylethynyl)pyrrolidine-1,2-dicarboxylate

C13H21NO4Si — CID 11358058

IUPACdimethyl (2S,5S)-5-(2-trimethylsilylethynyl)pyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1CC[C@@H](C#C[Si](C)(C)C)N1C(=O)OC
InChIInChI=1S/C13H21NO4Si/c1-17-12(15)11-7-6-10(8-9-19(3,4)5)14(11)13(16)18-2/h10-11H,6-7H2,1-5H3/t10-,11-/m0/s1
InChIKeyZNCCPTZQWVXNMT-QWRGUYRKSA-N
MW283.40 g/mol
LogP1.64
Rot. Bonds1

About dimethyl (2S,5S)-5-(2-trimethylsilylethynyl)pyrrolidine-1,2-dicarboxylate

dimethyl (2S,5S)-5-(2-trimethylsilylethynyl)pyrrolidine-1,2-dicarboxylate (PubChem CID 11358058) has the molecular formula C13H21NO4Si and a molecular weight of 283.40 g/mol. Its IUPAC name is dimethyl (2S,5S)-5-(2-trimethylsilylethynyl)pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2S,5S)-5-(2-trimethylsilylethynyl)pyrrolidine-1,2-dicarboxylate
PubChem CID11358058
Molecular FormulaC13H21NO4Si
Molecular Weight283.40 g/mol
Exact Mass283.12
IUPAC Namedimethyl (2S,5S)-5-(2-trimethylsilylethynyl)pyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1CC[C@@H](C#C[Si](C)(C)C)N1C(=O)OC
InChIInChI=1S/C13H21NO4Si/c1-17-12(15)11-7-6-10(8-9-19(3,4)5)14(11)13(16)18-2/h10-11H,6-7H2,1-5H3/t10-,11-/m0/s1
InChIKeyZNCCPTZQWVXNMT-QWRGUYRKSA-N
XLogP1.64
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2S,5S)-5-(2-trimethylsilylethynyl)pyrrolidine-1,2-dicarboxylate?
The IUPAC name of dimethyl (2S,5S)-5-(2-trimethylsilylethynyl)pyrrolidine-1,2-dicarboxylate (CID 11358058) is dimethyl (2S,5S)-5-(2-trimethylsilylethynyl)pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for dimethyl (2S,5S)-5-(2-trimethylsilylethynyl)pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for dimethyl (2S,5S)-5-(2-trimethylsilylethynyl)pyrrolidine-1,2-dicarboxylate is COC(=O)[C@@H]1CC[C@@H](C#C[Si](C)(C)C)N1C(=O)OC.
What is the InChIKey of dimethyl (2S,5S)-5-(2-trimethylsilylethynyl)pyrrolidine-1,2-dicarboxylate?
The InChIKey is ZNCCPTZQWVXNMT-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H21NO4Si/c1-17-12(15)11-7-6-10(8-9-19(3,4)5)14(11)13(16)18-2/h10-11H,6-7H2,1-5H3/t10-,11-/m0/s1.
What are the key properties of dimethyl (2S,5S)-5-(2-trimethylsilylethynyl)pyrrolidine-1,2-dicarboxylate?
dimethyl (2S,5S)-5-(2-trimethylsilylethynyl)pyrrolidine-1,2-dicarboxylate has a molecular weight of 283.40 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S,5S)-5-(2-trimethylsilylethynyl)pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 11358058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).