1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidine-1,2-dicarboxylate

C17H33NO6Si — CID 11314858

IUPAC1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C(O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO6Si/c1-16(2,3)23-15(21)18-11(14(20)22-7)10-12(13(18)19)24-25(8,9)17(4,5)6/h11-13,19H,10H2,1-9H3/t11-,12-,13?/m0/s1
InChIKeyXLZKADXQFSDGBF-VYAYZGMFSA-N
MW375.54 g/mol
LogP2.88
Rot. Bonds3

About 1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidine-1,2-dicarboxylate (PubChem CID 11314858) has the molecular formula C17H33NO6Si and a molecular weight of 375.54 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidine-1,2-dicarboxylate
PubChem CID11314858
Molecular FormulaC17H33NO6Si
Molecular Weight375.54 g/mol
Exact Mass375.21
IUPAC Name1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C(O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO6Si/c1-16(2,3)23-15(21)18-11(14(20)22-7)10-12(13(18)19)24-25(8,9)17(4,5)6/h11-13,19H,10H2,1-9H3/t11-,12-,13?/m0/s1
InChIKeyXLZKADXQFSDGBF-VYAYZGMFSA-N
XLogP2.88
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl 2-methyl (2S)-4-[[(tert-butyldimethylsilyl)oxy]methyl]-4-fluoropyrrolidine-1,2-dicarboxylate
CID 131748987
(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 140776742
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 173776151
ditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 102027970
4r-((t-Butyldimethylsilyl)oxy)-1-(methoxycarbonyl)-l-proline
CID 163183585
(2S,4R)-1-tert-Butyl 2-methyl 4-((tert-butyldimethylsilyl)oxy)pyrrolidine-1,2-dicarboxylate
CID 10618477
(2S,4R)-1-(tert-Butoxycarbonyl)-4-((tert-butyldimethylsilyl)oxy)pyrrolidine-2-carboxylic acid
CID 10958909
ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate
CID 11225292
(2S,4S)-1-tert-Butyl 2-methyl 4-((tert-butyldimethylsilyl)oxy)pyrrolidine-1,2-dicarboxylate
CID 11371823
1-Tert-butyl 2-methyl 4-((tert-butyldimethylsilyl)oxy)pyrrolidine-1,2-dicarboxylate
CID 14117002
1-(tert-Butyl) 2-methyl (2R,4R)-4-((tert-butyldimethylsilyl)oxy)pyrrolidine-1,2-dicarboxylate
CID 14117003
2-O-methyl 1-O-(2-trimethylsilylethyl) 4-hydroxypyrrolidine-1,2-dicarboxylate
CID 14629869

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidine-1,2-dicarboxylate (CID 11314858) is 1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidine-1,2-dicarboxylate is COC(=O)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C(O)N1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidine-1,2-dicarboxylate?
The InChIKey is XLZKADXQFSDGBF-VYAYZGMFSA-N. The full InChI is InChI=1S/C17H33NO6Si/c1-16(2,3)23-15(21)18-11(14(20)22-7)10-12(13(18)19)24-25(8,9)17(4,5)6/h11-13,19H,10H2,1-9H3/t11-,12-,13?/m0/s1.
What are the key properties of 1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidine-1,2-dicarboxylate has a molecular weight of 375.54 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 11314858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).