(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2,5-dione

C17H25NO3Si — CID 11415931

IUPAC(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2,5-dione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C17H25NO3Si/c1-17(2,3)22(4,5)21-14-11-15(19)18(16(14)20)12-13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3/t14-/m0/s1
InChIKeyNZXWCUMKUTZIEY-AWEZNQCLSA-N
MW319.48 g/mol
LogP3.34
Rot. Bonds4

About (3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2,5-dione

(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2,5-dione (PubChem CID 11415931) has the molecular formula C17H25NO3Si and a molecular weight of 319.48 g/mol. Its IUPAC name is (3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2,5-dione
PubChem CID11415931
Molecular FormulaC17H25NO3Si
Molecular Weight319.48 g/mol
Exact Mass319.16
IUPAC Name(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2,5-dione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C17H25NO3Si/c1-17(2,3)22(4,5)21-14-11-15(19)18(16(14)20)12-13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3/t14-/m0/s1
InChIKeyNZXWCUMKUTZIEY-AWEZNQCLSA-N
XLogP3.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl] acetate
CID 1512523
(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

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2,5-dione (CID 11415931) is (3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2,5-dione is CC(C)(C)[Si](C)(C)O[C@H]1CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of (3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2,5-dione?
The InChIKey is NZXWCUMKUTZIEY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25NO3Si/c1-17(2,3)22(4,5)21-14-11-15(19)18(16(14)20)12-13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3/t14-/m0/s1.
What are the key properties of (3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2,5-dione?
(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2,5-dione has a molecular weight of 319.48 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2,5-dione is sourced from PubChem (CID 11415931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).