tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrrolidine-1-carboxylate

C23H46N2O5Si — CID 54422150

IUPACtert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrrolidine-1-carboxylate
SMILESCN(CC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C23H46N2O5Si/c1-21(2,3)28-19(26)24(10)14-13-17-15-18(30-31(11,12)23(7,8)9)16-25(17)20(27)29-22(4,5)6/h17-18H,13-16H2,1-12H3/t17-,18-/m1/s1
InChIKeyWBOOLONBWGAASL-QZTJIDSGSA-N
MW458.72 g/mol
LogP5.64
Rot. Bonds5

About tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrrolidine-1-carboxylate

tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrrolidine-1-carboxylate (PubChem CID 54422150) has the molecular formula C23H46N2O5Si and a molecular weight of 458.72 g/mol. Its IUPAC name is tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrrolidine-1-carboxylate
PubChem CID54422150
Molecular FormulaC23H46N2O5Si
Molecular Weight458.72 g/mol
Exact Mass458.32
IUPAC Nametert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrrolidine-1-carboxylate
SMILESCN(CC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C23H46N2O5Si/c1-21(2,3)28-19(26)24(10)14-13-17-15-18(30-31(11,12)23(7,8)9)16-25(17)20(27)29-22(4,5)6/h17-18H,13-16H2,1-12H3/t17-,18-/m1/s1
InChIKeyWBOOLONBWGAASL-QZTJIDSGSA-N
XLogP5.64
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.72
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrrolidine-1-carboxylate (CID 54422150) is tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrrolidine-1-carboxylate is CN(CC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrrolidine-1-carboxylate?
The InChIKey is WBOOLONBWGAASL-QZTJIDSGSA-N. The full InChI is InChI=1S/C23H46N2O5Si/c1-21(2,3)28-19(26)24(10)14-13-17-15-18(30-31(11,12)23(7,8)9)16-25(17)20(27)29-22(4,5)6/h17-18H,13-16H2,1-12H3/t17-,18-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrrolidine-1-carboxylate has a molecular weight of 458.72 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 54422150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).