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

C28H44N2O7Si — CID 90091057

IUPACtert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-1-hydroxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate
SMILESC[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@@H](O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C28H44N2O7Si/c1-18(24(32)30-22(17-35-26(30)34)19-13-11-10-12-14-19)23(31)21-15-20(37-38(8,9)28(5,6)7)16-29(21)25(33)36-27(2,3)4/h10-14,18,20-23,31H,15-17H2,1-9H3/t18-,20-,21+,22+,23-/m1/s1
InChIKeyMEHJACQGWQTCES-LFDQFFAPSA-N
MW548.75 g/mol
LogP5.10
Rot. Bonds6

About tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-1-hydroxy-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-hydroxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate (PubChem CID 90091057) has the molecular formula C28H44N2O7Si and a molecular weight of 548.75 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-1-hydroxy-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-hydroxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate
PubChem CID90091057
Molecular FormulaC28H44N2O7Si
Molecular Weight548.75 g/mol
Exact Mass548.29
IUPAC Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-1-hydroxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate
SMILESC[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@@H](O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C28H44N2O7Si/c1-18(24(32)30-22(17-35-26(30)34)19-13-11-10-12-14-19)23(31)21-15-20(37-38(8,9)28(5,6)7)16-29(21)25(33)36-27(2,3)4/h10-14,18,20-23,31H,15-17H2,1-9H3/t18-,20-,21+,22+,23-/m1/s1
InChIKeyMEHJACQGWQTCES-LFDQFFAPSA-N
XLogP5.10
TPSA105.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.75
LogP ≤ 55.10
H-Bond Donors ≤ 51
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-hydroxy-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-hydroxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate (CID 90091057) is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-1-hydroxy-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-hydroxy-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-hydroxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate is C[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@@H](O)[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-hydroxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate?
The InChIKey is MEHJACQGWQTCES-LFDQFFAPSA-N. The full InChI is InChI=1S/C28H44N2O7Si/c1-18(24(32)30-22(17-35-26(30)34)19-13-11-10-12-14-19)23(31)21-15-20(37-38(8,9)28(5,6)7)16-29(21)25(33)36-27(2,3)4/h10-14,18,20-23,31H,15-17H2,1-9H3/t18-,20-,21+,22+,23-/m1/s1.
What are the key properties of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-1-hydroxy-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-hydroxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate has a molecular weight of 548.75 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 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-hydroxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 90091057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).