1-O-tert-butyl 2-O-methyl 2-(2-trimethylsilylethoxymethyl)pyrrolidine-1,2-dicarboxylate

C17H33NO5Si — CID 165406053

IUPAC1-O-tert-butyl 2-O-methyl 2-(2-trimethylsilylethoxymethyl)pyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)C1(COCC[Si](C)(C)C)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO5Si/c1-16(2,3)23-15(20)18-10-8-9-17(18,14(19)21-4)13-22-11-12-24(5,6)7/h8-13H2,1-7H3
InChIKeyAFAFHBZIRHNHNX-UHFFFAOYSA-N
MW359.54 g/mol
LogP3.28
Rot. Bonds6

About 1-O-tert-butyl 2-O-methyl 2-(2-trimethylsilylethoxymethyl)pyrrolidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-methyl 2-(2-trimethylsilylethoxymethyl)pyrrolidine-1,2-dicarboxylate (PubChem CID 165406053) has the molecular formula C17H33NO5Si and a molecular weight of 359.54 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl 2-(2-trimethylsilylethoxymethyl)pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl 2-(2-trimethylsilylethoxymethyl)pyrrolidine-1,2-dicarboxylate
PubChem CID165406053
Molecular FormulaC17H33NO5Si
Molecular Weight359.54 g/mol
Exact Mass359.21
IUPAC Name1-O-tert-butyl 2-O-methyl 2-(2-trimethylsilylethoxymethyl)pyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)C1(COCC[Si](C)(C)C)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO5Si/c1-16(2,3)23-15(20)18-10-8-9-17(18,14(19)21-4)13-22-11-12-24(5,6)7/h8-13H2,1-7H3
InChIKeyAFAFHBZIRHNHNX-UHFFFAOYSA-N
XLogP3.28
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-methyl 2-(2-trimethylsilylethoxymethyl)pyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl 2-(2-trimethylsilylethoxymethyl)pyrrolidine-1,2-dicarboxylate (CID 165406053) is 1-O-tert-butyl 2-O-methyl 2-(2-trimethylsilylethoxymethyl)pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl 2-(2-trimethylsilylethoxymethyl)pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl 2-(2-trimethylsilylethoxymethyl)pyrrolidine-1,2-dicarboxylate is COC(=O)C1(COCC[Si](C)(C)C)CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-methyl 2-(2-trimethylsilylethoxymethyl)pyrrolidine-1,2-dicarboxylate?
The InChIKey is AFAFHBZIRHNHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO5Si/c1-16(2,3)23-15(20)18-10-8-9-17(18,14(19)21-4)13-22-11-12-24(5,6)7/h8-13H2,1-7H3.
What are the key properties of 1-O-tert-butyl 2-O-methyl 2-(2-trimethylsilylethoxymethyl)pyrrolidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl 2-(2-trimethylsilylethoxymethyl)pyrrolidine-1,2-dicarboxylate has a molecular weight of 359.54 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-methyl 2-(2-trimethylsilylethoxymethyl)pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 165406053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).