benzyl (2R,3R)-2-(benzoyloxymethyl)-3-methyl-3-triethylsilyloxypyrrolidine-1-carboxylate

C27H37NO5Si — CID 134864863

IUPACbenzyl (2R,3R)-2-(benzoyloxymethyl)-3-methyl-3-triethylsilyloxypyrrolidine-1-carboxylate
SMILESCC[Si](CC)(CC)O[C@]1(C)CCN(C(=O)OCc2ccccc2)[C@@H]1COC(=O)c1ccccc1
InChIInChI=1S/C27H37NO5Si/c1-5-34(6-2,7-3)33-27(4)18-19-28(26(30)32-20-22-14-10-8-11-15-22)24(27)21-31-25(29)23-16-12-9-13-17-23/h8-17,24H,5-7,18-21H2,1-4H3/t24-,27-/m1/s1
InChIKeyFCODRFCPBBISCC-SHQCIBLASA-N
MW483.68 g/mol
LogP6.03
Rot. Bonds10

About benzyl (2R,3R)-2-(benzoyloxymethyl)-3-methyl-3-triethylsilyloxypyrrolidine-1-carboxylate

benzyl (2R,3R)-2-(benzoyloxymethyl)-3-methyl-3-triethylsilyloxypyrrolidine-1-carboxylate (PubChem CID 134864863) has the molecular formula C27H37NO5Si and a molecular weight of 483.68 g/mol. Its IUPAC name is benzyl (2R,3R)-2-(benzoyloxymethyl)-3-methyl-3-triethylsilyloxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,3R)-2-(benzoyloxymethyl)-3-methyl-3-triethylsilyloxypyrrolidine-1-carboxylate
PubChem CID134864863
Molecular FormulaC27H37NO5Si
Molecular Weight483.68 g/mol
Exact Mass483.24
IUPAC Namebenzyl (2R,3R)-2-(benzoyloxymethyl)-3-methyl-3-triethylsilyloxypyrrolidine-1-carboxylate
SMILESCC[Si](CC)(CC)O[C@]1(C)CCN(C(=O)OCc2ccccc2)[C@@H]1COC(=O)c1ccccc1
InChIInChI=1S/C27H37NO5Si/c1-5-34(6-2,7-3)33-27(4)18-19-28(26(30)32-20-22-14-10-8-11-15-22)24(27)21-31-25(29)23-16-12-9-13-17-23/h8-17,24H,5-7,18-21H2,1-4H3/t24-,27-/m1/s1
InChIKeyFCODRFCPBBISCC-SHQCIBLASA-N
XLogP6.03
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.68
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-O-benzyl 2-O-methyl (2S,3aS,7aS)-3a-benzoyloxy-6-oxo-2,3,7,7a-tetrahydroindole-1,2-dicarboxylate
CID 5461482
(Dodecanoylazanediyl)di(ethane-2,1-diyl) dibenzoate
CID 321690
tert-butyl (2S,3R,4R)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(difluoromethyl)pyrrolidine-1-carboxylate
CID 11330957
tert-butyl (2S,3R,4R)-4-benzoyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)pyrrolidine-1-carboxylate
CID 11397598
tert-butyl (2S,4R)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(difluoromethylidene)pyrrolidine-1-carboxylate
CID 11467584
benzyl (2S,4S)-2-(benzoyloxymethyl)-3,3-difluoro-4-hydroxypyrrolidine-1-carboxylate
CID 135016957
benzyl (2S,4S)-2-tert-butyl-4-deuterio-5-oxo-4-phenacyl-1,3-oxazolidine-3-carboxylate
CID 164671470
[(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]pyrrolidin-2-yl]methyl benzoate
CID 95975656
tert-butyl (4S)-4-[2-(4-methoxycarbonylphenyl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 101887265
(2R,3R,4S)-3-Benzoyloxy-N-benzyloxycarbonyl-4-benzyloxy-2-fluoromethyl-pyrrolidine
CID 67157467
tert-butyl 2-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(3,5-difluorophenyl)methyl]-3-oxo-3-phenylmethoxypropyl]-4-prop-2-enoxypyrrolidine-1-carboxylate
CID 67316570
(2R,4R)-tert-butyl 4-(allyloxy)-2-((1S,2S)-2-(benzyloxycarbonyl)-1-(tert-butyldimethylsilyloxy)-3-(3,5-difluorophenyl)propyl)pyrrolidine-1-carboxylate
CID 67316571

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,3R)-2-(benzoyloxymethyl)-3-methyl-3-triethylsilyloxypyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R,3R)-2-(benzoyloxymethyl)-3-methyl-3-triethylsilyloxypyrrolidine-1-carboxylate (CID 134864863) is benzyl (2R,3R)-2-(benzoyloxymethyl)-3-methyl-3-triethylsilyloxypyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,3R)-2-(benzoyloxymethyl)-3-methyl-3-triethylsilyloxypyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R,3R)-2-(benzoyloxymethyl)-3-methyl-3-triethylsilyloxypyrrolidine-1-carboxylate is CC[Si](CC)(CC)O[C@]1(C)CCN(C(=O)OCc2ccccc2)[C@@H]1COC(=O)c1ccccc1.
What is the InChIKey of benzyl (2R,3R)-2-(benzoyloxymethyl)-3-methyl-3-triethylsilyloxypyrrolidine-1-carboxylate?
The InChIKey is FCODRFCPBBISCC-SHQCIBLASA-N. The full InChI is InChI=1S/C27H37NO5Si/c1-5-34(6-2,7-3)33-27(4)18-19-28(26(30)32-20-22-14-10-8-11-15-22)24(27)21-31-25(29)23-16-12-9-13-17-23/h8-17,24H,5-7,18-21H2,1-4H3/t24-,27-/m1/s1.
What are the key properties of benzyl (2R,3R)-2-(benzoyloxymethyl)-3-methyl-3-triethylsilyloxypyrrolidine-1-carboxylate?
benzyl (2R,3R)-2-(benzoyloxymethyl)-3-methyl-3-triethylsilyloxypyrrolidine-1-carboxylate has a molecular weight of 483.68 g/mol, XLogP of 6.03, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,3R)-2-(benzoyloxymethyl)-3-methyl-3-triethylsilyloxypyrrolidine-1-carboxylate is sourced from PubChem (CID 134864863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).