methyl (2S)-1-phosphanyl-5-(2-trimethylsilylethynyl)pyrrolidine-2-carboxylate

C11H20NO2PSi — CID 58905469

IUPACmethyl (2S)-1-phosphanyl-5-(2-trimethylsilylethynyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCC(C#C[Si](C)(C)C)N1P
InChIInChI=1S/C11H20NO2PSi/c1-14-11(13)10-6-5-9(12(10)15)7-8-16(2,3)4/h9-10H,5-6,15H2,1-4H3/t9?,10-/m0/s1
InChIKeyVUSZVVXQFDUITP-AXDSSHIGSA-N
MW257.35 g/mol
LogP1.66
Rot. Bonds1

About methyl (2S)-1-phosphanyl-5-(2-trimethylsilylethynyl)pyrrolidine-2-carboxylate

methyl (2S)-1-phosphanyl-5-(2-trimethylsilylethynyl)pyrrolidine-2-carboxylate (PubChem CID 58905469) has the molecular formula C11H20NO2PSi and a molecular weight of 257.35 g/mol. Its IUPAC name is methyl (2S)-1-phosphanyl-5-(2-trimethylsilylethynyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-phosphanyl-5-(2-trimethylsilylethynyl)pyrrolidine-2-carboxylate
PubChem CID58905469
Molecular FormulaC11H20NO2PSi
Molecular Weight257.35 g/mol
Exact Mass257.10
IUPAC Namemethyl (2S)-1-phosphanyl-5-(2-trimethylsilylethynyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCC(C#C[Si](C)(C)C)N1P
InChIInChI=1S/C11H20NO2PSi/c1-14-11(13)10-6-5-9(12(10)15)7-8-16(2,3)4/h9-10H,5-6,15H2,1-4H3/t9?,10-/m0/s1
InChIKeyVUSZVVXQFDUITP-AXDSSHIGSA-N
XLogP1.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-phosphanyl-5-(2-trimethylsilylethynyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-phosphanyl-5-(2-trimethylsilylethynyl)pyrrolidine-2-carboxylate (CID 58905469) is methyl (2S)-1-phosphanyl-5-(2-trimethylsilylethynyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-phosphanyl-5-(2-trimethylsilylethynyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-phosphanyl-5-(2-trimethylsilylethynyl)pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCC(C#C[Si](C)(C)C)N1P.
What is the InChIKey of methyl (2S)-1-phosphanyl-5-(2-trimethylsilylethynyl)pyrrolidine-2-carboxylate?
The InChIKey is VUSZVVXQFDUITP-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H20NO2PSi/c1-14-11(13)10-6-5-9(12(10)15)7-8-16(2,3)4/h9-10H,5-6,15H2,1-4H3/t9?,10-/m0/s1.
What are the key properties of methyl (2S)-1-phosphanyl-5-(2-trimethylsilylethynyl)pyrrolidine-2-carboxylate?
methyl (2S)-1-phosphanyl-5-(2-trimethylsilylethynyl)pyrrolidine-2-carboxylate has a molecular weight of 257.35 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-phosphanyl-5-(2-trimethylsilylethynyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 58905469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).