tert-butyl (2R,4R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-4-propan-2-yloxypyrrolidine-1-carboxylate

C29H43NO4Si — CID 176760431

IUPACtert-butyl (2R,4R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-4-propan-2-yloxypyrrolidine-1-carboxylate
SMILESCC(C)O[C@@H]1C[C@@H](CCC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C29H43NO4Si/c1-22(2)33-24-20-23(30(21-24)27(31)34-28(3,4)5)18-19-29(6,7)35(32,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-17,22-24,32H,18-21H2,1-7H3/t23-,24-/m1/s1
InChIKeyMAPQOTQPZRUHKL-DNQXCXABSA-N
MW497.75 g/mol
LogP5.10
Rot. Bonds8

About tert-butyl (2R,4R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-4-propan-2-yloxypyrrolidine-1-carboxylate

tert-butyl (2R,4R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-4-propan-2-yloxypyrrolidine-1-carboxylate (PubChem CID 176760431) has the molecular formula C29H43NO4Si and a molecular weight of 497.75 g/mol. Its IUPAC name is tert-butyl (2R,4R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-4-propan-2-yloxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-4-propan-2-yloxypyrrolidine-1-carboxylate
PubChem CID176760431
Molecular FormulaC29H43NO4Si
Molecular Weight497.75 g/mol
Exact Mass497.30
IUPAC Nametert-butyl (2R,4R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-4-propan-2-yloxypyrrolidine-1-carboxylate
SMILESCC(C)O[C@@H]1C[C@@H](CCC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C29H43NO4Si/c1-22(2)33-24-20-23(30(21-24)27(31)34-28(3,4)5)18-19-29(6,7)35(32,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-17,22-24,32H,18-21H2,1-7H3/t23-,24-/m1/s1
InChIKeyMAPQOTQPZRUHKL-DNQXCXABSA-N
XLogP5.10
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.75
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (2R,4R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-4-propan-2-yloxypyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-Butyl (2R,4R)-4-((tert-butyldiphenylsilyl)oxy)-2-ethynylpyrrolidine-1-carboxylate
CID 91299586
tert-butyl (2S,4R)-4-hydroxy-2-[[(E)-8-(4-phenylphenyl)oct-7-enoxy]methyl]pyrrolidine-1-carboxylate
CID 145964534
tert-butyl (2S,4R)-4-hydroxy-2-[[(E)-11-(4-phenylphenyl)undec-10-enoxy]methyl]pyrrolidine-1-carboxylate
CID 145965363
tert-butyl (2S)-2-[[(E)-8-(4-phenylphenyl)oct-7-enoxy]methyl]pyrrolidine-1-carboxylate
CID 145971565
tert-butyl (2S,4R)-4-hydroxy-2-[[(E)-10-(4-phenylphenyl)dec-9-enoxy]methyl]pyrrolidine-1-carboxylate
CID 145975865
tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10837991
tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethyl)pyrrolidine-1-carboxylate
CID 164780086
tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethoxymethyl)pyrrolidine-1-carboxylate
CID 170521985
tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethyl)pyrrolidine-1-carboxylate
CID 172577445
(2S,3R)-1-(tert-Butoxycarbonyl)-2-(tert-butyldiphenylsilanyloxymethyl)-3-vinylpyrrolidine
CID 23726637
tert-butyl (2S,3S,5R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-nonylpyrrolidine-1-carboxylate
CID 10885794
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 11189879

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-4-propan-2-yloxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-4-propan-2-yloxypyrrolidine-1-carboxylate (CID 176760431) is tert-butyl (2R,4R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-4-propan-2-yloxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-4-propan-2-yloxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-4-propan-2-yloxypyrrolidine-1-carboxylate is CC(C)O[C@@H]1C[C@@H](CCC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (2R,4R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-4-propan-2-yloxypyrrolidine-1-carboxylate?
The InChIKey is MAPQOTQPZRUHKL-DNQXCXABSA-N. The full InChI is InChI=1S/C29H43NO4Si/c1-22(2)33-24-20-23(30(21-24)27(31)34-28(3,4)5)18-19-29(6,7)35(32,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-17,22-24,32H,18-21H2,1-7H3/t23-,24-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-4-propan-2-yloxypyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-4-propan-2-yloxypyrrolidine-1-carboxylate has a molecular weight of 497.75 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-4-propan-2-yloxypyrrolidine-1-carboxylate is sourced from PubChem (CID 176760431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).