tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate

C29H46N2O7Si — CID 123701788

IUPACtert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate
SMILESCO[C@H]([C@@H](C)C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C29H46N2O7Si/c1-19(25(32)31-23(18-36-27(31)34)20-14-12-11-13-15-20)24(35-8)22-16-21(38-39(9,10)29(5,6)7)17-30(22)26(33)37-28(2,3)4/h11-15,19,21-24H,16-18H2,1-10H3/t19-,21-,22+,23+,24-/m1/s1
InChIKeyAHORFEUTYGXBIM-SAKKWRDPSA-N
MW562.78 g/mol
LogP5.76
Rot. Bonds7

About tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate (PubChem CID 123701788) has the molecular formula C29H46N2O7Si and a molecular weight of 562.78 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate
PubChem CID123701788
Molecular FormulaC29H46N2O7Si
Molecular Weight562.78 g/mol
Exact Mass562.31
IUPAC Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate
SMILESCO[C@H]([C@@H](C)C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C29H46N2O7Si/c1-19(25(32)31-23(18-36-27(31)34)20-14-12-11-13-15-20)24(35-8)22-16-21(38-39(9,10)29(5,6)7)17-30(22)26(33)37-28(2,3)4/h11-15,19,21-24H,16-18H2,1-10H3/t19-,21-,22+,23+,24-/m1/s1
InChIKeyAHORFEUTYGXBIM-SAKKWRDPSA-N
XLogP5.76
TPSA94.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.78
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate (CID 123701788) is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate is CO[C@H]([C@@H](C)C(=O)N1C(=O)OC[C@H]1c1ccccc1)[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 (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate?
The InChIKey is AHORFEUTYGXBIM-SAKKWRDPSA-N. The full InChI is InChI=1S/C29H46N2O7Si/c1-19(25(32)31-23(18-36-27(31)34)20-14-12-11-13-15-20)24(35-8)22-16-21(38-39(9,10)29(5,6)7)17-30(22)26(33)37-28(2,3)4/h11-15,19,21-24H,16-18H2,1-10H3/t19-,21-,22+,23+,24-/m1/s1.
What are the key properties of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate has a molecular weight of 562.78 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 123701788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).