methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate

C22H29NO3Si — CID 135397199

IUPACmethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1
InChIInChI=1S/C22H29NO3Si/c1-22(2,3)27(18-11-7-5-8-12-18,19-13-9-6-10-14-19)26-17-15-20(23-16-17)21(24)25-4/h5-14,17,20,23H,15-16H2,1-4H3/t17-,20+/m1/s1
InChIKeyMIISAVSORZZJIN-XLIONFOSSA-N
MW383.56 g/mol
LogP2.47
Rot. Bonds5

About methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate

methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate (PubChem CID 135397199) has the molecular formula C22H29NO3Si and a molecular weight of 383.56 g/mol. Its IUPAC name is methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate
PubChem CID135397199
Molecular FormulaC22H29NO3Si
Molecular Weight383.56 g/mol
Exact Mass383.19
IUPAC Namemethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1
InChIInChI=1S/C22H29NO3Si/c1-22(2,3)27(18-11-7-5-8-12-18,19-13-9-6-10-14-19)26-17-15-20(23-16-17)21(24)25-4/h5-14,17,20,23H,15-16H2,1-4H3/t17-,20+/m1/s1
InChIKeyMIISAVSORZZJIN-XLIONFOSSA-N
XLogP2.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 52.47
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 methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate (CID 135397199) is methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1.
What is the InChIKey of methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate?
The InChIKey is MIISAVSORZZJIN-XLIONFOSSA-N. The full InChI is InChI=1S/C22H29NO3Si/c1-22(2,3)27(18-11-7-5-8-12-18,19-13-9-6-10-14-19)26-17-15-20(23-16-17)21(24)25-4/h5-14,17,20,23H,15-16H2,1-4H3/t17-,20+/m1/s1.
What are the key properties of methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate?
methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate has a molecular weight of 383.56 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate is sourced from PubChem (CID 135397199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).