tert-butyl (2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate

C26H37NO3Si — CID 15342153

IUPACtert-butyl (2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1NCC[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H37NO3Si/c1-25(2,3)30-24(28)23-20(17-18-27-23)19-29-31(26(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23,27H,17-19H2,1-6H3/t20-,23+/m1/s1
InChIKeyCYDVEXWPGMNSAA-OFNKIYASSA-N
MW439.67 g/mol
LogP3.88
Rot. Bonds6

About tert-butyl (2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate

tert-butyl (2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate (PubChem CID 15342153) has the molecular formula C26H37NO3Si and a molecular weight of 439.67 g/mol. Its IUPAC name is tert-butyl (2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
PubChem CID15342153
Molecular FormulaC26H37NO3Si
Molecular Weight439.67 g/mol
Exact Mass439.25
IUPAC Nametert-butyl (2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1NCC[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H37NO3Si/c1-25(2,3)30-24(28)23-20(17-18-27-23)19-29-31(26(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23,27H,17-19H2,1-6H3/t20-,23+/m1/s1
InChIKeyCYDVEXWPGMNSAA-OFNKIYASSA-N
XLogP3.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.67
LogP ≤ 53.88
H-Bond Donors ≤ 51
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 tert-butyl (2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate (CID 15342153) is tert-butyl (2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate is CC(C)(C)OC(=O)[C@H]1NCC[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate?
The InChIKey is CYDVEXWPGMNSAA-OFNKIYASSA-N. The full InChI is InChI=1S/C26H37NO3Si/c1-25(2,3)30-24(28)23-20(17-18-27-23)19-29-31(26(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23,27H,17-19H2,1-6H3/t20-,23+/m1/s1.
What are the key properties of tert-butyl (2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate?
tert-butyl (2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate has a molecular weight of 439.67 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 15342153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).