(3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one

C18H29NO3Si — CID 11371081

IUPAC(3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](CO)N(Cc2ccccc2)C1=O
InChIInChI=1S/C18H29NO3Si/c1-18(2,3)23(4,5)22-16-11-15(13-20)19(17(16)21)12-14-9-7-6-8-10-14/h6-10,15-16,20H,11-13H2,1-5H3/t15-,16+/m1/s1
InChIKeyTWGOQQZZCZGRKH-CVEARBPZSA-N
MW335.52 g/mol
LogP3.17
Rot. Bonds5

About (3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one

(3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 11371081) has the molecular formula C18H29NO3Si and a molecular weight of 335.52 g/mol. Its IUPAC name is (3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one
PubChem CID11371081
Molecular FormulaC18H29NO3Si
Molecular Weight335.52 g/mol
Exact Mass335.19
IUPAC Name(3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](CO)N(Cc2ccccc2)C1=O
InChIInChI=1S/C18H29NO3Si/c1-18(2,3)23(4,5)22-16-11-15(13-20)19(17(16)21)12-14-9-7-6-8-10-14/h6-10,15-16,20H,11-13H2,1-5H3/t15-,16+/m1/s1
InChIKeyTWGOQQZZCZGRKH-CVEARBPZSA-N
XLogP3.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)piperidin-2-one
CID 10337911
(1R,4S,5S,6S)-2-benzyl-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-azabicyclo[2.2.1]heptan-3-one
CID 11719572
(1S,4R,5S,6R)-2-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-azabicyclo[2.2.1]heptan-3-one
CID 101036633
(3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione
CID 11102405
[(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]oct-6-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 102324960
(3S)-1-benzyl-5-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidin-2-one
CID 101212293
(1R,3R,7R,9R)-5-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5-azabicyclo[7.1.0]decan-4-one
CID 11315782
(3S,5S)-1-benzyl-3-cyclohexyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 134931077
(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid
CID 175140102
1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid
CID 67033582
(4R)-1-benzyl-4-(hydroxymethyl)azetidin-2-one
CID 10856298
(3R,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxyazetidin-2-one
CID 155677974

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of (3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one (CID 11371081) is (3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for (3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one is CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](CO)N(Cc2ccccc2)C1=O.
What is the InChIKey of (3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is TWGOQQZZCZGRKH-CVEARBPZSA-N. The full InChI is InChI=1S/C18H29NO3Si/c1-18(2,3)23(4,5)22-16-11-15(13-20)19(17(16)21)12-14-9-7-6-8-10-14/h6-10,15-16,20H,11-13H2,1-5H3/t15-,16+/m1/s1.
What are the key properties of (3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one?
(3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 335.52 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 11371081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).