2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S)-pyrrolidine-1,2-dicarboxylate

C16H31NO4Si — CID 91751443

IUPAC2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S)-pyrrolidine-1,2-dicarboxylate
SMILESCC(C)COC(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31NO4Si/c1-12(2)11-20-15(19)17-10-8-9-13(17)14(18)21-22(6,7)16(3,4)5/h12-13H,8-11H2,1-7H3/t13-/m0/s1
InChIKeySXOFCRXOJZTZKC-ZDUSSCGKSA-N
MW329.51 g/mol
LogP3.79
Rot. Bonds4

About 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S)-pyrrolidine-1,2-dicarboxylate

2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S)-pyrrolidine-1,2-dicarboxylate (PubChem CID 91751443) has the molecular formula C16H31NO4Si and a molecular weight of 329.51 g/mol. Its IUPAC name is 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S)-pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S)-pyrrolidine-1,2-dicarboxylate
PubChem CID91751443
Molecular FormulaC16H31NO4Si
Molecular Weight329.51 g/mol
Exact Mass329.20
IUPAC Name2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S)-pyrrolidine-1,2-dicarboxylate
SMILESCC(C)COC(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31NO4Si/c1-12(2)11-20-15(19)17-10-8-9-13(17)14(18)21-22(6,7)16(3,4)5/h12-13H,8-11H2,1-7H3/t13-/m0/s1
InChIKeySXOFCRXOJZTZKC-ZDUSSCGKSA-N
XLogP3.79
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pyrrolidine-1,2-dicarboxylic acid 1-isobutyl ester
CID 3127493
(2S)-2-[[tert-Butyldimethylsilyloxy]methyl]-4-oxo-1-pyrrolidinecarboxylic Acid tert-Butyl Ester
CID 11099551
(2S,3S)-3-(tert-Butyl-dimethyl-silanyloxy)-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
CID 21636779
methyl (2S,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate
CID 142327858
methyl (2S,4R)-1-[2-[dimethyl(2-methylpentan-2-yl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate
CID 173754589
methyl (2R,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate
CID 175241790
Pro, N-isoBOC TBDMS
CID 529369
l-Proline, N-propoxycarbonyl-, isobutyl ester
CID 6424309
l-Proline, N-butoxycarbonyl-, isohexyl ester
CID 6424617
l-Proline, N-isobutoxycarbonyl-, isobutyl ester
CID 6424619
d-Proline, N-isobutoxycarbonyl-, ethyl ester
CID 6424638
d-Proline, N-isobutoxycarbonyl-, propyl ester
CID 6424639

Frequently Asked Questions

What is the IUPAC name of 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S)-pyrrolidine-1,2-dicarboxylate?
The IUPAC name of 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S)-pyrrolidine-1,2-dicarboxylate (CID 91751443) is 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S)-pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S)-pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S)-pyrrolidine-1,2-dicarboxylate is CC(C)COC(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S)-pyrrolidine-1,2-dicarboxylate?
The InChIKey is SXOFCRXOJZTZKC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H31NO4Si/c1-12(2)11-20-15(19)17-10-8-9-13(17)14(18)21-22(6,7)16(3,4)5/h12-13H,8-11H2,1-7H3/t13-/m0/s1.
What are the key properties of 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S)-pyrrolidine-1,2-dicarboxylate?
2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S)-pyrrolidine-1,2-dicarboxylate has a molecular weight of 329.51 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S)-pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 91751443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).