tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-2-propylpyrrolidine-1-carboxylate

C19H39NO4Si — CID 11025144

IUPACtert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-2-propylpyrrolidine-1-carboxylate
SMILESCCC[C@]1(CO)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H39NO4Si/c1-10-11-19(14-21)12-15(24-25(8,9)18(5,6)7)13-20(19)16(22)23-17(2,3)4/h15,21H,10-14H2,1-9H3/t15-,19-/m1/s1
InChIKeyUPSAIQGKSRBQTO-DNVCBOLYSA-N
MW373.61 g/mol
LogP4.55
Rot. Bonds5

About tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-2-propylpyrrolidine-1-carboxylate

tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-2-propylpyrrolidine-1-carboxylate (PubChem CID 11025144) has the molecular formula C19H39NO4Si and a molecular weight of 373.61 g/mol. Its IUPAC name is tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-2-propylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-2-propylpyrrolidine-1-carboxylate
PubChem CID11025144
Molecular FormulaC19H39NO4Si
Molecular Weight373.61 g/mol
Exact Mass373.26
IUPAC Nametert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-2-propylpyrrolidine-1-carboxylate
SMILESCCC[C@]1(CO)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H39NO4Si/c1-10-11-19(14-21)12-15(24-25(8,9)18(5,6)7)13-20(19)16(22)23-17(2,3)4/h15,21H,10-14H2,1-9H3/t15-,19-/m1/s1
InChIKeyUPSAIQGKSRBQTO-DNVCBOLYSA-N
XLogP4.55
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 159982570
tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxylate
CID 11750961
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpyrrolidine-1,2-dicarboxylic acid
CID 67123094
1-O-tert-butyl 2-O-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpyrrolidine-1,2-dicarboxylate
CID 11734108
1-O-tert-butyl 2-O-methyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(chloromethyl)prop-2-enyl]pyrrolidine-1,2-dicarboxylate
CID 171792786
tert-butyl (2S,4R)-2-(hydroxymethyl)-4-methoxy-2-methylpyrrolidine-1-carboxylate
CID 125448936
1-O-tert-butyl 2-O-methyl (2S,4S)-2-[(4-bromophenyl)methyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 162677631
tert-butyl (2S,4S)-2-benzyl-2-(hydroxymethyl)-4-phenylmethoxypyrrolidine-1-carboxylate
CID 155391049
tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(5-fluoro-2-methoxyphenyl)-2-hydroxypyrrolidine-1-carboxylate
CID 139270410
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(ethylsulfonyloxymethyl)pyrrolidine-1-carboxylate
CID 155904410
tert-butyl (2S,4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 45026939
tert-butyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
CID 174257287

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-2-propylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-2-propylpyrrolidine-1-carboxylate (CID 11025144) is tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-2-propylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-2-propylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-2-propylpyrrolidine-1-carboxylate is CCC[C@]1(CO)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-2-propylpyrrolidine-1-carboxylate?
The InChIKey is UPSAIQGKSRBQTO-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H39NO4Si/c1-10-11-19(14-21)12-15(24-25(8,9)18(5,6)7)13-20(19)16(22)23-17(2,3)4/h15,21H,10-14H2,1-9H3/t15-,19-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-2-propylpyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-2-propylpyrrolidine-1-carboxylate has a molecular weight of 373.61 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-2-propylpyrrolidine-1-carboxylate is sourced from PubChem (CID 11025144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).