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

C18H29NO3Si — CID 101212292

IUPAC(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidin-2-one
SMILESCC1(O)C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H29NO3Si/c1-17(2,3)23(5,6)22-15-12-18(4,21)19(16(15)20)13-14-10-8-7-9-11-14/h7-11,15,21H,12-13H2,1-6H3/t15-,18?/m0/s1
InChIKeyKDQXRCRUFGZCBN-BUSXIPJBSA-N
MW335.52 g/mol
LogP3.52
Rot. Bonds4

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

(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidin-2-one (PubChem CID 101212292) has the molecular formula C18H29NO3Si and a molecular weight of 335.52 g/mol. Its IUPAC name is (3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidin-2-one
PubChem CID101212292
Molecular FormulaC18H29NO3Si
Molecular Weight335.52 g/mol
Exact Mass335.19
IUPAC Name(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidin-2-one
SMILESCC1(O)C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H29NO3Si/c1-17(2,3)23(5,6)22-15-12-18(4,21)19(16(15)20)13-14-10-8-7-9-11-14/h7-11,15,21H,12-13H2,1-6H3/t15-,18?/m0/s1
InChIKeyKDQXRCRUFGZCBN-BUSXIPJBSA-N
XLogP3.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidin-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

1-Benzyl-3-hydroxypyrrolidin-2-one
CID 219255
(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione
CID 10072426
(3R*,4S*,5R*)-5-allyl-1-benzyl-3,4-bis(tert-butyldimethylsilyloxy)-2-pyrrolidinone
CID 10412681
(3R)-4-(1-fluoroethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 58945363
(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
(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxypyrrolidin-2-one
CID 10095360
[(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl] acetate
CID 10435813
(2S)-2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde
CID 11068016
(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2,5-dione
CID 11415931
1-Benzyl-5-hydroxy-5-(3-trimethylsilylprop-2-ynyl)pyrrolidin-2-one
CID 15486530
(S)-2-(2-(Benzyl(2-(triisopropylsilyloxy)ethyl)amino)-2-oxoethyl)pent-4-enoic acid
CID 25109995

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidin-2-one?
The IUPAC name of (3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidin-2-one (CID 101212292) is (3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidin-2-one.
What is the SMILES notation for (3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidin-2-one?
The canonical SMILES for (3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidin-2-one is CC1(O)C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidin-2-one?
The InChIKey is KDQXRCRUFGZCBN-BUSXIPJBSA-N. The full InChI is InChI=1S/C18H29NO3Si/c1-17(2,3)23(5,6)22-15-12-18(4,21)19(16(15)20)13-14-10-8-7-9-11-14/h7-11,15,21H,12-13H2,1-6H3/t15-,18?/m0/s1.
What are the key properties of (3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidin-2-one?
(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidin-2-one has a molecular weight of 335.52 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 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]oxy-5-hydroxy-5-methylpyrrolidin-2-one is sourced from PubChem (CID 101212292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).