tert-butyl (2R,4R)-2-(1-dimethylsilyloxy-2,2,3-trimethylbutyl)-4-hydroxypyrrolidine-1-carboxylate

C18H37NO4Si — CID 154434972

IUPACtert-butyl (2R,4R)-2-(1-dimethylsilyloxy-2,2,3-trimethylbutyl)-4-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)C(C)(C)C(O[SiH](C)C)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H37NO4Si/c1-12(2)18(6,7)15(23-24(8)9)14-10-13(20)11-19(14)16(21)22-17(3,4)5/h12-15,20,24H,10-11H2,1-9H3/t13-,14-,15?/m1/s1
InChIKeyRETIZWWDLCKQRF-GRKKQISMSA-N
MW359.58 g/mol
LogP3.41
Rot. Bonds5

About tert-butyl (2R,4R)-2-(1-dimethylsilyloxy-2,2,3-trimethylbutyl)-4-hydroxypyrrolidine-1-carboxylate

tert-butyl (2R,4R)-2-(1-dimethylsilyloxy-2,2,3-trimethylbutyl)-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 154434972) has the molecular formula C18H37NO4Si and a molecular weight of 359.58 g/mol. Its IUPAC name is tert-butyl (2R,4R)-2-(1-dimethylsilyloxy-2,2,3-trimethylbutyl)-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-2-(1-dimethylsilyloxy-2,2,3-trimethylbutyl)-4-hydroxypyrrolidine-1-carboxylate
PubChem CID154434972
Molecular FormulaC18H37NO4Si
Molecular Weight359.58 g/mol
Exact Mass359.25
IUPAC Nametert-butyl (2R,4R)-2-(1-dimethylsilyloxy-2,2,3-trimethylbutyl)-4-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)C(C)(C)C(O[SiH](C)C)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H37NO4Si/c1-12(2)18(6,7)15(23-24(8)9)14-10-13(20)11-19(14)16(21)22-17(3,4)5/h12-15,20,24H,10-11H2,1-9H3/t13-,14-,15?/m1/s1
InChIKeyRETIZWWDLCKQRF-GRKKQISMSA-N
XLogP3.41
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.58
LogP ≤ 53.41
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 (2S,4R)-2-(dihydroxymethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 167170201
tert-butyl (2R,4R)-2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 162342554
tert-butyl 2-propan-2-ylaziridine-1-carboxylate
CID 73192324
tert-butyl 4-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 154523095
tert-butyl (2S,4R)-4-hydroxy-2-[(1R)-1-hydroxy-2-methoxycarbonylprop-2-enyl]pyrrolidine-1-carboxylate
CID 135018405
tert-butyl 4-fluoro-2-(1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 102537964
tert-butyl (2S,4S)-4-fluoro-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 129370244
tert-butyl (2R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 54350495
tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 67557534
tert-butyl (2S,4S)-2-(bromomethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 170900143
tert-butyl (4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate;carbon dioxide
CID 159053694
1-O-tert-butyl 2-O-(2-methylpropanoyl) 4-hydroxypyrrolidine-1,2-dicarboxylate
CID 123668646

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-2-(1-dimethylsilyloxy-2,2,3-trimethylbutyl)-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-2-(1-dimethylsilyloxy-2,2,3-trimethylbutyl)-4-hydroxypyrrolidine-1-carboxylate (CID 154434972) is tert-butyl (2R,4R)-2-(1-dimethylsilyloxy-2,2,3-trimethylbutyl)-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-2-(1-dimethylsilyloxy-2,2,3-trimethylbutyl)-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-2-(1-dimethylsilyloxy-2,2,3-trimethylbutyl)-4-hydroxypyrrolidine-1-carboxylate is CC(C)C(C)(C)C(O[SiH](C)C)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4R)-2-(1-dimethylsilyloxy-2,2,3-trimethylbutyl)-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is RETIZWWDLCKQRF-GRKKQISMSA-N. The full InChI is InChI=1S/C18H37NO4Si/c1-12(2)18(6,7)15(23-24(8)9)14-10-13(20)11-19(14)16(21)22-17(3,4)5/h12-15,20,24H,10-11H2,1-9H3/t13-,14-,15?/m1/s1.
What are the key properties of tert-butyl (2R,4R)-2-(1-dimethylsilyloxy-2,2,3-trimethylbutyl)-4-hydroxypyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-2-(1-dimethylsilyloxy-2,2,3-trimethylbutyl)-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 359.58 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-2-(1-dimethylsilyloxy-2,2,3-trimethylbutyl)-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 154434972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).