tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate

C16H31NO5Si — CID 10521466

IUPACtert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C[C@H](O)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31NO5Si/c1-15(2,3)22-14(20)17-11(12(18)9-13(17)19)10-21-23(7,8)16(4,5)6/h11-12,18H,9-10H2,1-8H3/t11-,12+/m1/s1
InChIKeyYVJIPASVYCPFCF-NEPJUHHUSA-N
MW345.51 g/mol
LogP2.91
Rot. Bonds3

About tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate

tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate (PubChem CID 10521466) has the molecular formula C16H31NO5Si and a molecular weight of 345.51 g/mol. Its IUPAC name is tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate
PubChem CID10521466
Molecular FormulaC16H31NO5Si
Molecular Weight345.51 g/mol
Exact Mass345.20
IUPAC Nametert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C[C@H](O)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31NO5Si/c1-15(2,3)22-14(20)17-11(12(18)9-13(17)19)10-21-23(7,8)16(4,5)6/h11-12,18H,9-10H2,1-8H3/t11-,12+/m1/s1
InChIKeyYVJIPASVYCPFCF-NEPJUHHUSA-N
XLogP2.91
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,1-Dimethylethyl (2S)-2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-5-oxo-1-pyrrolidinecarboxylate
CID 10903613
1,1-Dimethylethyl (2R,3S)-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-(hydroxymethyl)-1-pyrrolidinecarboxylate
CID 10925602
(2R,3R)-3-(tert-Butyldimethylsilanyloxy)-2-hydroxymethylpyrrolidine-1-carboxylic acid tert-butyl ester
CID 11012982
(2R,3S)-tert-butyl 2-((tert-butyldimethylsilyloxy)methyl)-3-hydroxypyrrolidine-1-carboxylate
CID 14462925
(2S,3S)-3-(tert-Butyl-dimethyl-silanyloxy)-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
CID 21636779
(2S,3S,4S)-3-(tert-butyl-dimethyl-silanyloxy)-4-fluoro-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
CID 68283966
tert-butyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate
CID 46934909
tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypyrrolidine-1-carboxylate
CID 134836448
tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dioxopyrrolidine-1-carboxylate
CID 135019366
tert-butyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-oxopyrrolidine-1-carboxylate
CID 101170046
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate
CID 10568516
(2S,4R)-1-tert-butoxycarbonyl-4-tert-butyldimethylsiloxy-2-[(R)-1-hydroxy-2-(methoxycarbonyl)ethyl]pyrrolidine
CID 10862338

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate (CID 10521466) is tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)C[C@H](O)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate?
The InChIKey is YVJIPASVYCPFCF-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H31NO5Si/c1-15(2,3)22-14(20)17-11(12(18)9-13(17)19)10-21-23(7,8)16(4,5)6/h11-12,18H,9-10H2,1-8H3/t11-,12+/m1/s1.
What are the key properties of tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate has a molecular weight of 345.51 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 10521466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).