2-O-methyl 1-O-(2-trimethylsilylethyl) (2S)-pyrrolidine-1,2-dicarboxylate

C12H23NO4Si — CID 14890869

IUPAC2-O-methyl 1-O-(2-trimethylsilylethyl) (2S)-pyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C12H23NO4Si/c1-16-11(14)10-6-5-7-13(10)12(15)17-8-9-18(2,3)4/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyZGCCGYPMEMMCTK-JTQLQIEISA-N
MW273.40 g/mol
LogP2.10
Rot. Bonds4

About 2-O-methyl 1-O-(2-trimethylsilylethyl) (2S)-pyrrolidine-1,2-dicarboxylate

2-O-methyl 1-O-(2-trimethylsilylethyl) (2S)-pyrrolidine-1,2-dicarboxylate (PubChem CID 14890869) has the molecular formula C12H23NO4Si and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-O-methyl 1-O-(2-trimethylsilylethyl) (2S)-pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-methyl 1-O-(2-trimethylsilylethyl) (2S)-pyrrolidine-1,2-dicarboxylate
PubChem CID14890869
Molecular FormulaC12H23NO4Si
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Name2-O-methyl 1-O-(2-trimethylsilylethyl) (2S)-pyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C12H23NO4Si/c1-16-11(14)10-6-5-7-13(10)12(15)17-8-9-18(2,3)4/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyZGCCGYPMEMMCTK-JTQLQIEISA-N
XLogP2.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-O-methyl 1-O-(2-trimethylsilylethyl) (2S)-pyrrolidine-1,2-dicarboxylate?
The IUPAC name of 2-O-methyl 1-O-(2-trimethylsilylethyl) (2S)-pyrrolidine-1,2-dicarboxylate (CID 14890869) is 2-O-methyl 1-O-(2-trimethylsilylethyl) (2S)-pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 2-O-methyl 1-O-(2-trimethylsilylethyl) (2S)-pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 2-O-methyl 1-O-(2-trimethylsilylethyl) (2S)-pyrrolidine-1,2-dicarboxylate is COC(=O)[C@@H]1CCCN1C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-O-methyl 1-O-(2-trimethylsilylethyl) (2S)-pyrrolidine-1,2-dicarboxylate?
The InChIKey is ZGCCGYPMEMMCTK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23NO4Si/c1-16-11(14)10-6-5-7-13(10)12(15)17-8-9-18(2,3)4/h10H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of 2-O-methyl 1-O-(2-trimethylsilylethyl) (2S)-pyrrolidine-1,2-dicarboxylate?
2-O-methyl 1-O-(2-trimethylsilylethyl) (2S)-pyrrolidine-1,2-dicarboxylate has a molecular weight of 273.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-methyl 1-O-(2-trimethylsilylethyl) (2S)-pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 14890869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).