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

C18H37NO4Si — CID 22864761

IUPACtert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropyl)pyrrolidine-1-carboxylate
SMILESCC(O)C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H37NO4Si/c1-13(20)10-14-11-15(23-24(8,9)18(5,6)7)12-19(14)16(21)22-17(2,3)4/h13-15,20H,10-12H2,1-9H3/t13?,14-,15-/m1/s1
InChIKeyWAWSLMXAHRWKDU-JVIGXAJISA-N
MW359.58 g/mol
LogP4.16
Rot. Bonds4

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

tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropyl)pyrrolidine-1-carboxylate (PubChem CID 22864761) has the molecular formula C18H37NO4Si and a molecular weight of 359.58 g/mol. Its IUPAC name is tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropyl)pyrrolidine-1-carboxylate
PubChem CID22864761
Molecular FormulaC18H37NO4Si
Molecular Weight359.58 g/mol
Exact Mass359.25
IUPAC Nametert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropyl)pyrrolidine-1-carboxylate
SMILESCC(O)C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H37NO4Si/c1-13(20)10-14-11-15(23-24(8,9)18(5,6)7)12-19(14)16(21)22-17(2,3)4/h13-15,20H,10-12H2,1-9H3/t13?,14-,15-/m1/s1
InChIKeyWAWSLMXAHRWKDU-JVIGXAJISA-N
XLogP4.16
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.58
LogP ≤ 54.16
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-(2-hydroxypropyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropyl)pyrrolidine-1-carboxylate (CID 22864761) is tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropyl)pyrrolidine-1-carboxylate is CC(O)C[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-(2-hydroxypropyl)pyrrolidine-1-carboxylate?
The InChIKey is WAWSLMXAHRWKDU-JVIGXAJISA-N. The full InChI is InChI=1S/C18H37NO4Si/c1-13(20)10-14-11-15(23-24(8,9)18(5,6)7)12-19(14)16(21)22-17(2,3)4/h13-15,20H,10-12H2,1-9H3/t13?,14-,15-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropyl)pyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropyl)pyrrolidine-1-carboxylate has a molecular weight of 359.58 g/mol, XLogP of 4.16, 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-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 22864761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).