tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxybutyl)pyrrolidine-1-carboxylate

C19H39NO4Si — CID 22864768

IUPACtert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxybutyl)pyrrolidine-1-carboxylate
SMILESCC(O)CC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H39NO4Si/c1-14(21)10-11-15-12-16(24-25(8,9)19(5,6)7)13-20(15)17(22)23-18(2,3)4/h14-16,21H,10-13H2,1-9H3/t14?,15-,16-/m1/s1
InChIKeyGDPSQDUFYOXLBL-ANGDWKNPSA-N
MW373.61 g/mol
LogP4.55
Rot. Bonds5

About tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxybutyl)pyrrolidine-1-carboxylate

tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxybutyl)pyrrolidine-1-carboxylate (PubChem CID 22864768) has the molecular formula C19H39NO4Si and a molecular weight of 373.61 g/mol. Its IUPAC name is tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxybutyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxybutyl)pyrrolidine-1-carboxylate
PubChem CID22864768
Molecular FormulaC19H39NO4Si
Molecular Weight373.61 g/mol
Exact Mass373.26
IUPAC Nametert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxybutyl)pyrrolidine-1-carboxylate
SMILESCC(O)CC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H39NO4Si/c1-14(21)10-11-15-12-16(24-25(8,9)19(5,6)7)13-20(15)17(22)23-18(2,3)4/h14-16,21H,10-13H2,1-9H3/t14?,15-,16-/m1/s1
InChIKeyGDPSQDUFYOXLBL-ANGDWKNPSA-N
XLogP4.55
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxybutyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxybutyl)pyrrolidine-1-carboxylate (CID 22864768) is tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxybutyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxybutyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxybutyl)pyrrolidine-1-carboxylate is CC(O)CC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxybutyl)pyrrolidine-1-carboxylate?
The InChIKey is GDPSQDUFYOXLBL-ANGDWKNPSA-N. The full InChI is InChI=1S/C19H39NO4Si/c1-14(21)10-11-15-12-16(24-25(8,9)19(5,6)7)13-20(15)17(22)23-18(2,3)4/h14-16,21H,10-13H2,1-9H3/t14?,15-,16-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxybutyl)pyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxybutyl)pyrrolidine-1-carboxylate has a molecular weight of 373.61 g/mol, XLogP of 4.55, 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)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxybutyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 22864768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).