benzyl (2S,3R,4R,5R)-3-benzoyloxy-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-nonylpyrrolidine-1-carboxylate

C41H57NO5Si — CID 11039665

IUPACbenzyl (2S,3R,4R,5R)-3-benzoyloxy-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-nonylpyrrolidine-1-carboxylate
SMILESCCCCCCCCC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@H](Cc2ccccc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C41H57NO5Si/c1-7-8-9-10-11-12-22-29-35-38(47-48(5,6)41(2,3)4)37(46-39(43)34-27-20-15-21-28-34)36(30-32-23-16-13-17-24-32)42(35)40(44)45-31-33-25-18-14-19-26-33/h13-21,23-28,35-38H,7-12,22,29-31H2,1-6H3/t35-,36+,37-,38-/m1/s1
InChIKeyPIZVZERIICTKBD-OQYJSAOUSA-N
MW672.00 g/mol
LogP10.38
Rot. Bonds16

About benzyl (2S,3R,4R,5R)-3-benzoyloxy-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-nonylpyrrolidine-1-carboxylate

benzyl (2S,3R,4R,5R)-3-benzoyloxy-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-nonylpyrrolidine-1-carboxylate (PubChem CID 11039665) has the molecular formula C41H57NO5Si and a molecular weight of 672.00 g/mol. Its IUPAC name is benzyl (2S,3R,4R,5R)-3-benzoyloxy-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-nonylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,3R,4R,5R)-3-benzoyloxy-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-nonylpyrrolidine-1-carboxylate
PubChem CID11039665
Molecular FormulaC41H57NO5Si
Molecular Weight672.00 g/mol
Exact Mass671.40
IUPAC Namebenzyl (2S,3R,4R,5R)-3-benzoyloxy-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-nonylpyrrolidine-1-carboxylate
SMILESCCCCCCCCC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@H](Cc2ccccc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C41H57NO5Si/c1-7-8-9-10-11-12-22-29-35-38(47-48(5,6)41(2,3)4)37(46-39(43)34-27-20-15-21-28-34)36(30-32-23-16-13-17-24-32)42(35)40(44)45-31-33-25-18-14-19-26-33/h13-21,23-28,35-38H,7-12,22,29-31H2,1-6H3/t35-,36+,37-,38-/m1/s1
InChIKeyPIZVZERIICTKBD-OQYJSAOUSA-N
XLogP10.38
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.00
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze benzyl (2S,3R,4R,5R)-3-benzoyloxy-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-nonylpyrrolidine-1-carboxylate 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

[(2S,3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-6-(hydroxymethyl)-4-phenylmethoxyoxan-3-yl] benzoate
CID 101128904
[(2S,3S,5R)-2-benzyl-1-methyl-5-nonylpyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 11362468
benzyl (1R,3R,4R,5S)-3-(acetyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 23231497
benzyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-cyanopropyl)pyrrolidine-1-carboxylate
CID 15671515
benzyl (2R,6S)-2-methyl-6-nonyl-4-oxopiperidine-1-carboxylate
CID 71613008
benzyl 4-heptyl-5-hydroxy-1,2-oxazolidine-2-carboxylate
CID 155543608
1-O-benzyl 2-O-methyl (2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethylpyrrolidine-1,2-dicarboxylate
CID 169225497
[(2S,3S,5R,6R)-2,6-diacetyloxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexyl] acetate
CID 10031871
[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate
CID 177439885
benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylate
CID 11036265
benzyl (3aR,6R,7R,7aR)-7-(hydroxymethyl)-2,2-dimethyl-6-pentyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate
CID 122657805
1-O-benzyl 2-O-methyl (2S,3aS,6R,7aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-1,2-dicarboxylate
CID 11224661

Frequently Asked Questions

What is the IUPAC name of benzyl (2S,3R,4R,5R)-3-benzoyloxy-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-nonylpyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S,3R,4R,5R)-3-benzoyloxy-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-nonylpyrrolidine-1-carboxylate (CID 11039665) is benzyl (2S,3R,4R,5R)-3-benzoyloxy-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-nonylpyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S,3R,4R,5R)-3-benzoyloxy-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-nonylpyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S,3R,4R,5R)-3-benzoyloxy-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-nonylpyrrolidine-1-carboxylate is CCCCCCCCC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@H](Cc2ccccc2)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S,3R,4R,5R)-3-benzoyloxy-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-nonylpyrrolidine-1-carboxylate?
The InChIKey is PIZVZERIICTKBD-OQYJSAOUSA-N. The full InChI is InChI=1S/C41H57NO5Si/c1-7-8-9-10-11-12-22-29-35-38(47-48(5,6)41(2,3)4)37(46-39(43)34-27-20-15-21-28-34)36(30-32-23-16-13-17-24-32)42(35)40(44)45-31-33-25-18-14-19-26-33/h13-21,23-28,35-38H,7-12,22,29-31H2,1-6H3/t35-,36+,37-,38-/m1/s1.
What are the key properties of benzyl (2S,3R,4R,5R)-3-benzoyloxy-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-nonylpyrrolidine-1-carboxylate?
benzyl (2S,3R,4R,5R)-3-benzoyloxy-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-nonylpyrrolidine-1-carboxylate has a molecular weight of 672.00 g/mol, XLogP of 10.38, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,3R,4R,5R)-3-benzoyloxy-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-nonylpyrrolidine-1-carboxylate is sourced from PubChem (CID 11039665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).