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

C16H33NO4Si — CID 134836448

IUPACtert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NO4Si/c1-15(2,3)21-14(19)17-10-9-13(18)12(17)11-20-22(7,8)16(4,5)6/h12-13,18H,9-11H2,1-8H3/t12-,13+/m0/s1
InChIKeyFDXATUMQSJXBAG-QWHCGFSZSA-N
MW331.53 g/mol
LogP3.38
Rot. Bonds3

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

tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypyrrolidine-1-carboxylate (PubChem CID 134836448) has the molecular formula C16H33NO4Si and a molecular weight of 331.53 g/mol. Its IUPAC name is tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypyrrolidine-1-carboxylate
PubChem CID134836448
Molecular FormulaC16H33NO4Si
Molecular Weight331.53 g/mol
Exact Mass331.22
IUPAC Nametert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NO4Si/c1-15(2,3)21-14(19)17-10-9-13(18)12(17)11-20-22(7,8)16(4,5)6/h12-13,18H,9-11H2,1-8H3/t12-,13+/m0/s1
InChIKeyFDXATUMQSJXBAG-QWHCGFSZSA-N
XLogP3.38
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-Boc-trans-4-hydroxy-L-prolinol
CID 11275979
tert-Butyl (2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 10608802
tert-Butyl (2R,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 10680283
tert-butyl (2S,4R)-4-((tert-butyldimethylsilyl)oxy)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 11078078
tert-Butyl (2R,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 12709320
(-)-N-Boc-L-4-hydroxyprolinol
CID 22825185
tert-butyl (2R,4S)-4-((tert-butyldimethylsilyl)oxy)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 66962096
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
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 16731516
(2R,3S)-3-(tert-Butyl-dimethylsilanyloxy)-2-[(1S)-(2,2,2-trifluoro-1-hydroxyethyl)]pyrrolidine-1-carboxylic acid tert-butyl ester
CID 16731517

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypyrrolidine-1-carboxylate (CID 134836448) is tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypyrrolidine-1-carboxylate?
The InChIKey is FDXATUMQSJXBAG-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H33NO4Si/c1-15(2,3)21-14(19)17-10-9-13(18)12(17)11-20-22(7,8)16(4,5)6/h12-13,18H,9-11H2,1-8H3/t12-,13+/m0/s1.
What are the key properties of tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypyrrolidine-1-carboxylate?
tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypyrrolidine-1-carboxylate has a molecular weight of 331.53 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 134836448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).