tert-butyl (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylate

C28H41NO4Si — CID 91611041

IUPACtert-butyl (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](O)[C@H]1CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H41NO4Si/c1-27(2,3)33-26(31)29-20-19-25(30)24(29)18-13-21-32-34(28(4,5)6,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h7-12,14-17,24-25,30H,13,18-21H2,1-6H3/t24-,25-/m1/s1
InChIKeyOEXZZUFUMVLIES-JWQCQUIFSA-N
MW483.73 g/mol
LogP4.71
Rot. Bonds7

About tert-butyl (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylate

tert-butyl (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylate (PubChem CID 91611041) has the molecular formula C28H41NO4Si and a molecular weight of 483.73 g/mol. Its IUPAC name is tert-butyl (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylate
PubChem CID91611041
Molecular FormulaC28H41NO4Si
Molecular Weight483.73 g/mol
Exact Mass483.28
IUPAC Nametert-butyl (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](O)[C@H]1CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H41NO4Si/c1-27(2,3)33-26(31)29-20-19-25(30)24(29)18-13-21-32-34(28(4,5)6,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h7-12,14-17,24-25,30H,13,18-21H2,1-6H3/t24-,25-/m1/s1
InChIKeyOEXZZUFUMVLIES-JWQCQUIFSA-N
XLogP4.71
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.73
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl (2R,4R)-4-((tert-butyldiphenylsilyl)oxy)-2-ethynylpyrrolidine-1-carboxylate
CID 91299586
(2R/S,5S)-1-(tert-Butoxycarbonyl)-5-(tert-butyldiphenylsilanyloxymethyl)-2-hydroxypyrrolidine
CID 44556602
tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethyl)pyrrolidine-1-carboxylate
CID 164780086
tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethyl)pyrrolidine-1-carboxylate
CID 172577445
(2R/S,5S)-1-(tert-Butoxycarbonyl)-5-(tert-butyldiphenylsilanyloxymethyl)-2-methoxypyrrolidine
CID 10885179
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 11189879
tert-butyl (4S)-4-[(1R,2S)-1-[dimethyl(phenyl)silyl]-2-hydroxyhexadecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11621156
tert-butyl (2S)-2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]-5-ethoxypyrrolidine-1-carboxylate
CID 45103027
tert-butyl (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypiperidine-1-carboxylate
CID 101467337
tert-butyl (4S)-4-[(R)-[dimethyl(phenyl)silyl]-[(2S,3R)-3-tridecyloxiran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134866144
tert-butyl (4S)-4-[(R)-[dimethyl(phenyl)silyl]-[(2R,3S)-3-tridecyloxiran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134866335
tert-butyl (4S)-4-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 146169719

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylate (CID 91611041) is tert-butyl (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H]1CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylate?
The InChIKey is OEXZZUFUMVLIES-JWQCQUIFSA-N. The full InChI is InChI=1S/C28H41NO4Si/c1-27(2,3)33-26(31)29-20-19-25(30)24(29)18-13-21-32-34(28(4,5)6,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h7-12,14-17,24-25,30H,13,18-21H2,1-6H3/t24-,25-/m1/s1.
What are the key properties of tert-butyl (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylate?
tert-butyl (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylate has a molecular weight of 483.73 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 91611041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).