(3S)-1-benzyl-5-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidin-2-one

C21H35NO3Si — CID 101212293

IUPAC(3S)-1-benzyl-5-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidin-2-one
SMILESCCCCC1(O)C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H35NO3Si/c1-7-8-14-21(24)15-18(25-26(5,6)20(2,3)4)19(23)22(21)16-17-12-10-9-11-13-17/h9-13,18,24H,7-8,14-16H2,1-6H3/t18-,21?/m0/s1
InChIKeyGGKXGQVZBHNCRE-YMXDCFFPSA-N
MW377.60 g/mol
LogP4.69
Rot. Bonds7

About (3S)-1-benzyl-5-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidin-2-one

(3S)-1-benzyl-5-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidin-2-one (PubChem CID 101212293) has the molecular formula C21H35NO3Si and a molecular weight of 377.60 g/mol. Its IUPAC name is (3S)-1-benzyl-5-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-benzyl-5-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidin-2-one
PubChem CID101212293
Molecular FormulaC21H35NO3Si
Molecular Weight377.60 g/mol
Exact Mass377.24
IUPAC Name(3S)-1-benzyl-5-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidin-2-one
SMILESCCCCC1(O)C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H35NO3Si/c1-7-8-14-21(24)15-18(25-26(5,6)20(2,3)4)19(23)22(21)16-17-12-10-9-11-13-17/h9-13,18,24H,7-8,14-16H2,1-6H3/t18-,21?/m0/s1
InChIKeyGGKXGQVZBHNCRE-YMXDCFFPSA-N
XLogP4.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.60
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-1-benzyl-5-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one
CID 11371081
(3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione
CID 11102405
(4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-(phenylmethoxymethyl)pyrrolidin-2-one
CID 11236060
(1R,4S,5S,6S)-2-benzyl-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-azabicyclo[2.2.1]heptan-3-one
CID 11719572
(1R,5R,6R,7S,8S,9S)-3-butyl-8-[tert-butyl(dimethyl)silyl]oxy-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol
CID 102036233
(5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one
CID 102262809
(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
4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethylmorpholin-3-one
CID 123748311
(1S,4R,5S,6R)-2-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-azabicyclo[2.2.1]heptan-3-one
CID 101036633
(1R,3R,7R,9R)-5-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5-azabicyclo[7.1.0]decan-4-one
CID 11315782
ethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate
CID 23248578

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-5-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidin-2-one?
The IUPAC name of (3S)-1-benzyl-5-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidin-2-one (CID 101212293) is (3S)-1-benzyl-5-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidin-2-one.
What is the SMILES notation for (3S)-1-benzyl-5-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidin-2-one?
The canonical SMILES for (3S)-1-benzyl-5-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidin-2-one is CCCCC1(O)C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3S)-1-benzyl-5-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidin-2-one?
The InChIKey is GGKXGQVZBHNCRE-YMXDCFFPSA-N. The full InChI is InChI=1S/C21H35NO3Si/c1-7-8-14-21(24)15-18(25-26(5,6)20(2,3)4)19(23)22(21)16-17-12-10-9-11-13-17/h9-13,18,24H,7-8,14-16H2,1-6H3/t18-,21?/m0/s1.
What are the key properties of (3S)-1-benzyl-5-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidin-2-one?
(3S)-1-benzyl-5-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidin-2-one has a molecular weight of 377.60 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-5-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidin-2-one is sourced from PubChem (CID 101212293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).