(3R,4S,5R)-1-tert-butyl-4-[dimethyl(phenyl)silyl]-3-[(S)-hydroxy(phenyl)methyl]-5-phenylpyrrolidin-2-one

C29H35NO2Si — CID 139181189

IUPAC(3R,4S,5R)-1-tert-butyl-4-[dimethyl(phenyl)silyl]-3-[(S)-hydroxy(phenyl)methyl]-5-phenylpyrrolidin-2-one
SMILESCC(C)(C)N1C(=O)[C@@H]([C@H](O)c2ccccc2)[C@H]([Si](C)(C)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C29H35NO2Si/c1-29(2,3)30-25(21-15-9-6-10-16-21)27(33(4,5)23-19-13-8-14-20-23)24(28(30)32)26(31)22-17-11-7-12-18-22/h6-20,24-27,31H,1-5H3/t24-,25+,26+,27-/m0/s1
InChIKeyJUTBHPJARVNABL-YAOOYPAMSA-N
MW457.69 g/mol
LogP5.70
Rot. Bonds5

About (3R,4S,5R)-1-tert-butyl-4-[dimethyl(phenyl)silyl]-3-[(S)-hydroxy(phenyl)methyl]-5-phenylpyrrolidin-2-one

(3R,4S,5R)-1-tert-butyl-4-[dimethyl(phenyl)silyl]-3-[(S)-hydroxy(phenyl)methyl]-5-phenylpyrrolidin-2-one (PubChem CID 139181189) has the molecular formula C29H35NO2Si and a molecular weight of 457.69 g/mol. Its IUPAC name is (3R,4S,5R)-1-tert-butyl-4-[dimethyl(phenyl)silyl]-3-[(S)-hydroxy(phenyl)methyl]-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4S,5R)-1-tert-butyl-4-[dimethyl(phenyl)silyl]-3-[(S)-hydroxy(phenyl)methyl]-5-phenylpyrrolidin-2-one
PubChem CID139181189
Molecular FormulaC29H35NO2Si
Molecular Weight457.69 g/mol
Exact Mass457.24
IUPAC Name(3R,4S,5R)-1-tert-butyl-4-[dimethyl(phenyl)silyl]-3-[(S)-hydroxy(phenyl)methyl]-5-phenylpyrrolidin-2-one
SMILESCC(C)(C)N1C(=O)[C@@H]([C@H](O)c2ccccc2)[C@H]([Si](C)(C)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C29H35NO2Si/c1-29(2,3)30-25(21-15-9-6-10-16-21)27(33(4,5)23-19-13-8-14-20-23)24(28(30)32)26(31)22-17-11-7-12-18-22/h6-20,24-27,31H,1-5H3/t24-,25+,26+,27-/m0/s1
InChIKeyJUTBHPJARVNABL-YAOOYPAMSA-N
XLogP5.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.69
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R,4S,5R)-1-tert-butyl-4-[dimethyl(phenyl)silyl]-3-[(S)-hydroxy(phenyl)methyl]-5-phenylpyrrolidin-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

Caesalpinine A
CID 5458904
(7S,12S,13S)-13-[(R)-hydroxy(phenyl)methyl]-7-phenyl-1,6,10-triazabicyclo[10.2.1]pentadecane-9,14-dione
CID 162962957
(4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-(4-fluorophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 102046797
9-Hydroxy-13-[hydroxy(phenyl)methyl]-7-phenyl-1,6,10-triazabicyclo[10.2.1]pentadec-9-en-14-one
CID 435881
(1R,2R,4S)-4-(dibenzylamino)-1-hydroxy-2-methyl-1-phenylpentan-3-one
CID 11176699
(1R,2S,4S)-4-(dibenzylamino)-1-hydroxy-2-methyl-1-phenylpentan-3-one
CID 11486021
(1S,2R,4S)-4-(dibenzylamino)-1-hydroxy-2-methyl-1-phenylpentan-3-one
CID 14934526
(1R,2R,4S)-4-(dibenzylamino)-1-hydroxy-2,5-dimethyl-1-phenylhexan-3-one
CID 14934527
(1S,2R,4S)-4-(dibenzylamino)-1-hydroxy-2,5-dimethyl-1-phenylhexan-3-one
CID 14934528
beta-Hydroxy-N,N-bis(phenylmethyl)benzenepropanamide
CID 15326006
(2S)-N-benzyl-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-2-methyl-3-phenylpropanamide
CID 16115163
(3S,4R)-1-tert-butyl-4-ethenyl-3-[(S)-hydroxy(phenyl)methyl]pyrrolidin-2-one
CID 16220675

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-1-tert-butyl-4-[dimethyl(phenyl)silyl]-3-[(S)-hydroxy(phenyl)methyl]-5-phenylpyrrolidin-2-one?
The IUPAC name of (3R,4S,5R)-1-tert-butyl-4-[dimethyl(phenyl)silyl]-3-[(S)-hydroxy(phenyl)methyl]-5-phenylpyrrolidin-2-one (CID 139181189) is (3R,4S,5R)-1-tert-butyl-4-[dimethyl(phenyl)silyl]-3-[(S)-hydroxy(phenyl)methyl]-5-phenylpyrrolidin-2-one.
What is the SMILES notation for (3R,4S,5R)-1-tert-butyl-4-[dimethyl(phenyl)silyl]-3-[(S)-hydroxy(phenyl)methyl]-5-phenylpyrrolidin-2-one?
The canonical SMILES for (3R,4S,5R)-1-tert-butyl-4-[dimethyl(phenyl)silyl]-3-[(S)-hydroxy(phenyl)methyl]-5-phenylpyrrolidin-2-one is CC(C)(C)N1C(=O)[C@@H]([C@H](O)c2ccccc2)[C@H]([Si](C)(C)c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S,5R)-1-tert-butyl-4-[dimethyl(phenyl)silyl]-3-[(S)-hydroxy(phenyl)methyl]-5-phenylpyrrolidin-2-one?
The InChIKey is JUTBHPJARVNABL-YAOOYPAMSA-N. The full InChI is InChI=1S/C29H35NO2Si/c1-29(2,3)30-25(21-15-9-6-10-16-21)27(33(4,5)23-19-13-8-14-20-23)24(28(30)32)26(31)22-17-11-7-12-18-22/h6-20,24-27,31H,1-5H3/t24-,25+,26+,27-/m0/s1.
What are the key properties of (3R,4S,5R)-1-tert-butyl-4-[dimethyl(phenyl)silyl]-3-[(S)-hydroxy(phenyl)methyl]-5-phenylpyrrolidin-2-one?
(3R,4S,5R)-1-tert-butyl-4-[dimethyl(phenyl)silyl]-3-[(S)-hydroxy(phenyl)methyl]-5-phenylpyrrolidin-2-one has a molecular weight of 457.69 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-1-tert-butyl-4-[dimethyl(phenyl)silyl]-3-[(S)-hydroxy(phenyl)methyl]-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 139181189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).