(3R,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione

C23H39NO4Si2 — CID 100944918

IUPAC(3R,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C(=O)N(Cc2ccccc2)C(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H39NO4Si2/c1-22(2,3)29(7,8)27-18-19(28-30(9,10)23(4,5)6)21(26)24(20(18)25)16-17-14-12-11-13-15-17/h11-15,18-19H,16H2,1-10H3/t18-,19+
InChIKeyQBRWBUQECIDMIJ-KDURUIRLSA-N
MW449.74 g/mol
LogP5.34
Rot. Bonds6

About (3R,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione

(3R,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione (PubChem CID 100944918) has the molecular formula C23H39NO4Si2 and a molecular weight of 449.74 g/mol. Its IUPAC name is (3R,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione
PubChem CID100944918
Molecular FormulaC23H39NO4Si2
Molecular Weight449.74 g/mol
Exact Mass449.24
IUPAC Name(3R,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C(=O)N(Cc2ccccc2)C(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H39NO4Si2/c1-22(2,3)29(7,8)27-18-19(28-30(9,10)23(4,5)6)21(26)24(20(18)25)16-17-14-12-11-13-15-17/h11-15,18-19H,16H2,1-10H3/t18-,19+
InChIKeyQBRWBUQECIDMIJ-KDURUIRLSA-N
XLogP5.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.74
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 729946
1-Benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 519682
(3R)-1-benzyl-3,4-dihydroxy-pyrrolidine-2,5-dione
CID 353976
(3R,4S)-1-Benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 729942
(S)-1-benzyl-3-hydroxypyrrolidine-2,5-dione
CID 10954694
(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione
CID 10072426
(3S,4S)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 729944
(3R*,4S*,5R*)-5-allyl-1-benzyl-3,4-bis(tert-butyldimethylsilyloxy)-2-pyrrolidinone
CID 10412681
N-methyl-3-[(N,N-dibenzylamino)oxy]pyrrolidine-2,5-dione
CID 14224081
N-n-Octadecyl-3-[(N,N-dibenzylamino)oxy]pyrrolidine-2,5-dione
CID 14224083
(S)-3-((tert-butyldimethylsilyl)oxy)-1-(4-(difluoromethyl)benzyl)pyrrolidin-2-one
CID 123626683
3-[Tert-butyl(dimethyl)silyl]oxy-1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 173587331

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione?
The IUPAC name of (3R,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione (CID 100944918) is (3R,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione?
The canonical SMILES for (3R,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione is CC(C)(C)[Si](C)(C)O[C@@H]1C(=O)N(Cc2ccccc2)C(=O)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione?
The InChIKey is QBRWBUQECIDMIJ-KDURUIRLSA-N. The full InChI is InChI=1S/C23H39NO4Si2/c1-22(2,3)29(7,8)27-18-19(28-30(9,10)23(4,5)6)21(26)24(20(18)25)16-17-14-12-11-13-15-17/h11-15,18-19H,16H2,1-10H3/t18-,19+.
What are the key properties of (3R,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione?
(3R,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione has a molecular weight of 449.74 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione is sourced from PubChem (CID 100944918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).