methyl (2R,3S,3aR,6aR)-3-methyl-2-(triethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate

C17H33NO3Si — CID 174100550

IUPACmethyl (2R,3S,3aR,6aR)-3-methyl-2-(triethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate
SMILESCC[Si](CC)(CC)OC[C@H]1[C@@H](C)[C@H]2CCC[C@H]2N1C(=O)OC
InChIInChI=1S/C17H33NO3Si/c1-6-22(7-2,8-3)21-12-16-13(4)14-10-9-11-15(14)18(16)17(19)20-5/h13-16H,6-12H2,1-5H3/t13-,14+,15+,16-/m0/s1
InChIKeyBRKQLYYHIVNURT-JJXSEGSLSA-N
MW327.54 g/mol
LogP4.26
Rot. Bonds6

About methyl (2R,3S,3aR,6aR)-3-methyl-2-(triethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate

methyl (2R,3S,3aR,6aR)-3-methyl-2-(triethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate (PubChem CID 174100550) has the molecular formula C17H33NO3Si and a molecular weight of 327.54 g/mol. Its IUPAC name is methyl (2R,3S,3aR,6aR)-3-methyl-2-(triethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S,3aR,6aR)-3-methyl-2-(triethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate
PubChem CID174100550
Molecular FormulaC17H33NO3Si
Molecular Weight327.54 g/mol
Exact Mass327.22
IUPAC Namemethyl (2R,3S,3aR,6aR)-3-methyl-2-(triethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate
SMILESCC[Si](CC)(CC)OC[C@H]1[C@@H](C)[C@H]2CCC[C@H]2N1C(=O)OC
InChIInChI=1S/C17H33NO3Si/c1-6-22(7-2,8-3)21-12-16-13(4)14-10-9-11-15(14)18(16)17(19)20-5/h13-16H,6-12H2,1-5H3/t13-,14+,15+,16-/m0/s1
InChIKeyBRKQLYYHIVNURT-JJXSEGSLSA-N
XLogP4.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (2R,3S,3aR,6aR)-3-methyl-2-(triethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S,3aR,6aR)-3-methyl-2-(triethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate?
The IUPAC name of methyl (2R,3S,3aR,6aR)-3-methyl-2-(triethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate (CID 174100550) is methyl (2R,3S,3aR,6aR)-3-methyl-2-(triethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate.
What is the SMILES notation for methyl (2R,3S,3aR,6aR)-3-methyl-2-(triethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate?
The canonical SMILES for methyl (2R,3S,3aR,6aR)-3-methyl-2-(triethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate is CC[Si](CC)(CC)OC[C@H]1[C@@H](C)[C@H]2CCC[C@H]2N1C(=O)OC.
What is the InChIKey of methyl (2R,3S,3aR,6aR)-3-methyl-2-(triethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate?
The InChIKey is BRKQLYYHIVNURT-JJXSEGSLSA-N. The full InChI is InChI=1S/C17H33NO3Si/c1-6-22(7-2,8-3)21-12-16-13(4)14-10-9-11-15(14)18(16)17(19)20-5/h13-16H,6-12H2,1-5H3/t13-,14+,15+,16-/m0/s1.
What are the key properties of methyl (2R,3S,3aR,6aR)-3-methyl-2-(triethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate?
methyl (2R,3S,3aR,6aR)-3-methyl-2-(triethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate has a molecular weight of 327.54 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,3aR,6aR)-3-methyl-2-(triethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate is sourced from PubChem (CID 174100550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).