tert-butyl (2R,4R)-4-(2-hydroxyethyl)-1-trimethylsilylpyrrolidine-2-carboxylate

C14H29NO3Si — CID 141378656

IUPACtert-butyl (2R,4R)-4-(2-hydroxyethyl)-1-trimethylsilylpyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1C[C@H](CCO)CN1[Si](C)(C)C
InChIInChI=1S/C14H29NO3Si/c1-14(2,3)18-13(17)12-9-11(7-8-16)10-15(12)19(4,5)6/h11-12,16H,7-10H2,1-6H3/t11-,12+/m0/s1
InChIKeyUZSOHXNUMNPXNE-NWDGAFQWSA-N
MW287.48 g/mol
LogP2.24
Rot. Bonds4

About tert-butyl (2R,4R)-4-(2-hydroxyethyl)-1-trimethylsilylpyrrolidine-2-carboxylate

tert-butyl (2R,4R)-4-(2-hydroxyethyl)-1-trimethylsilylpyrrolidine-2-carboxylate (PubChem CID 141378656) has the molecular formula C14H29NO3Si and a molecular weight of 287.48 g/mol. Its IUPAC name is tert-butyl (2R,4R)-4-(2-hydroxyethyl)-1-trimethylsilylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-4-(2-hydroxyethyl)-1-trimethylsilylpyrrolidine-2-carboxylate
PubChem CID141378656
Molecular FormulaC14H29NO3Si
Molecular Weight287.48 g/mol
Exact Mass287.19
IUPAC Nametert-butyl (2R,4R)-4-(2-hydroxyethyl)-1-trimethylsilylpyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1C[C@H](CCO)CN1[Si](C)(C)C
InChIInChI=1S/C14H29NO3Si/c1-14(2,3)18-13(17)12-9-11(7-8-16)10-15(12)19(4,5)6/h11-12,16H,7-10H2,1-6H3/t11-,12+/m0/s1
InChIKeyUZSOHXNUMNPXNE-NWDGAFQWSA-N
XLogP2.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.48
LogP ≤ 52.24
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

tert-butyl 3-(2-hydroxyethyl)cyclobutane-1-carboxylate
CID 140895666
cis-tert-butyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 163289447
ditert-butyl (2S,5S)-5-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate
CID 91484630
tert-butyl 4-(hydroxymethyl)-1-pentylpyrrolidine-2-carboxylate
CID 141022494
ditert-butyl (2S,4S)-4-(iodomethyl)pyrrolidine-1,2-dicarboxylate
CID 18665884
tert-butyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 22594650
tert-butyl 3-[4-(2-hydroxyethyl)piperidin-1-yl]propanoate
CID 70085519
tert-butyl 3-(2-hydroxyethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 135396485
1-O-tert-butyl 2-O-methyl 4-(2-aminoethyl)pyrrolidine-1,2-dicarboxylate
CID 118308470
ditert-butyl (1R,3S,4S,6R)-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 10924504
tert-butyl 5-(2-hydroxyethyl)thiolane-3-carboxylate
CID 19096297
(2R,4R)-4-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 95180526

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-4-(2-hydroxyethyl)-1-trimethylsilylpyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-4-(2-hydroxyethyl)-1-trimethylsilylpyrrolidine-2-carboxylate (CID 141378656) is tert-butyl (2R,4R)-4-(2-hydroxyethyl)-1-trimethylsilylpyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-4-(2-hydroxyethyl)-1-trimethylsilylpyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-4-(2-hydroxyethyl)-1-trimethylsilylpyrrolidine-2-carboxylate is CC(C)(C)OC(=O)[C@H]1C[C@H](CCO)CN1[Si](C)(C)C.
What is the InChIKey of tert-butyl (2R,4R)-4-(2-hydroxyethyl)-1-trimethylsilylpyrrolidine-2-carboxylate?
The InChIKey is UZSOHXNUMNPXNE-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H29NO3Si/c1-14(2,3)18-13(17)12-9-11(7-8-16)10-15(12)19(4,5)6/h11-12,16H,7-10H2,1-6H3/t11-,12+/m0/s1.
What are the key properties of tert-butyl (2R,4R)-4-(2-hydroxyethyl)-1-trimethylsilylpyrrolidine-2-carboxylate?
tert-butyl (2R,4R)-4-(2-hydroxyethyl)-1-trimethylsilylpyrrolidine-2-carboxylate has a molecular weight of 287.48 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-4-(2-hydroxyethyl)-1-trimethylsilylpyrrolidine-2-carboxylate is sourced from PubChem (CID 141378656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).