1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1,2-dicarboxylate

C18H35NO5Si — CID 44603891

IUPAC1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@]1(CO[Si](C)(C)C(C)(C)C)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H35NO5Si/c1-16(2,3)24-15(21)19-12-10-11-18(19,14(20)22-7)13-23-25(8,9)17(4,5)6/h10-13H2,1-9H3/t18-/m1/s1
InChIKeyRNNJOCUGWOUCLL-GOSISDBHSA-N
MW373.57 g/mol
LogP3.95
Rot. Bonds4

About 1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1,2-dicarboxylate (PubChem CID 44603891) has the molecular formula C18H35NO5Si and a molecular weight of 373.57 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1,2-dicarboxylate
PubChem CID44603891
Molecular FormulaC18H35NO5Si
Molecular Weight373.57 g/mol
Exact Mass373.23
IUPAC Name1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@]1(CO[Si](C)(C)C(C)(C)C)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H35NO5Si/c1-16(2,3)24-15(21)19-12-10-11-18(19,14(20)22-7)13-23-25(8,9)17(4,5)6/h10-13H2,1-9H3/t18-/m1/s1
InChIKeyRNNJOCUGWOUCLL-GOSISDBHSA-N
XLogP3.95
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 53.95
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

1-((Tert-butoxy)carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 122163298
(2S,3S)-3-(tert-Butyl-dimethyl-silanyloxy)-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
CID 21636779
1-tert-butyl 2-methyl (2S)-4-[[(tert-butyldimethylsilyl)oxy]methyl]-4-fluoropyrrolidine-1,2-dicarboxylate
CID 131748987
1-(tert-Butyl) 2-methyl (2R,4R)-4-fluoro-2-(methoxymethyl)pyrrolidine-1,2-dicarboxylate
CID 171454016
1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1,2-dicarboxylate
CID 44603892
ditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 102027970
Boc-aMeHyp(TBDMS)-OMe
CID 10595536
(2S,4R)-1-tert-Butyl 2-methyl 4-((tert-butyldimethylsilyl)oxy)pyrrolidine-1,2-dicarboxylate
CID 10618477
Boc-D-aMeaHyp(TBDMS)-OMe
CID 10809382
(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

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1,2-dicarboxylate (CID 44603891) is 1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1,2-dicarboxylate is COC(=O)[C@]1(CO[Si](C)(C)C(C)(C)C)CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1,2-dicarboxylate?
The InChIKey is RNNJOCUGWOUCLL-GOSISDBHSA-N. The full InChI is InChI=1S/C18H35NO5Si/c1-16(2,3)24-15(21)19-12-10-11-18(19,14(20)22-7)13-23-25(8,9)17(4,5)6/h10-13H2,1-9H3/t18-/m1/s1.
What are the key properties of 1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1,2-dicarboxylate has a molecular weight of 373.57 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 44603891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).