methyl (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-2-carboxylate

C18H37NO4Si — CID 176753455

IUPACmethyl (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)N1COC(C)(C)C
InChIInChI=1S/C18H37NO4Si/c1-13-15(23-24(9,10)18(5,6)7)11-14(16(20)21-8)19(13)12-22-17(2,3)4/h13-15H,11-12H2,1-10H3/t13-,14+,15-/m1/s1
InChIKeyZTKSGFLLNSLBDB-QLFBSQMISA-N
MW359.58 g/mol
LogP3.79
Rot. Bonds5

About methyl (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-2-carboxylate

methyl (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-2-carboxylate (PubChem CID 176753455) has the molecular formula C18H37NO4Si and a molecular weight of 359.58 g/mol. Its IUPAC name is methyl (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-2-carboxylate
PubChem CID176753455
Molecular FormulaC18H37NO4Si
Molecular Weight359.58 g/mol
Exact Mass359.25
IUPAC Namemethyl (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)N1COC(C)(C)C
InChIInChI=1S/C18H37NO4Si/c1-13-15(23-24(9,10)18(5,6)7)11-14(16(20)21-8)19(13)12-22-17(2,3)4/h13-15H,11-12H2,1-10H3/t13-,14+,15-/m1/s1
InChIKeyZTKSGFLLNSLBDB-QLFBSQMISA-N
XLogP3.79
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.58
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate
CID 101092609
1-O-tert-butyl 2-O-methyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(1,3-dioxolan-2-yl)ethyl]pyrrolidine-1,2-dicarboxylate
CID 177365216
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyazetidine-2-carboxylate
CID 53302300
methyl (1R,2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylcyclopentane-1-carboxylate
CID 11015241
methyl (3S)-1-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylazepane-3-carboxylate
CID 174069006
azane;1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 160879696
methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolane-3-carboxylate
CID 67078588
tert-butyl (2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate
CID 168948559
1-O-tert-butyl 2-O-methyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenepyrrolidine-1,2-dicarboxylate
CID 172520808
methyl (1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxocyclopentane-1-carboxylate
CID 11140705
methyl (1S,2R,4aS,8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-naphthalene-1-carboxylate
CID 11199038
methyl (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylpyrrolidine-2-carboxylate
CID 138966247

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-2-carboxylate (CID 176753455) is methyl (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)N1COC(C)(C)C.
What is the InChIKey of methyl (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-2-carboxylate?
The InChIKey is ZTKSGFLLNSLBDB-QLFBSQMISA-N. The full InChI is InChI=1S/C18H37NO4Si/c1-13-15(23-24(9,10)18(5,6)7)11-14(16(20)21-8)19(13)12-22-17(2,3)4/h13-15H,11-12H2,1-10H3/t13-,14+,15-/m1/s1.
What are the key properties of methyl (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-2-carboxylate?
methyl (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-2-carboxylate has a molecular weight of 359.58 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 176753455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).