tert-butyl (4R,5R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate

C30H51NO4Si — CID 57138168

IUPACtert-butyl (4R,5R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate
SMILESCCC(CC)CC(=O)[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)CC(C(=O)OC(C)(C)C)N1Cc1ccccc1
InChIInChI=1S/C30H51NO4Si/c1-11-22(12-2)18-26(32)27-24(21-34-36(9,10)30(6,7)8)19-25(28(33)35-29(3,4)5)31(27)20-23-16-14-13-15-17-23/h13-17,22,24-25,27H,11-12,18-21H2,1-10H3/t24-,25?,27+/m0/s1
InChIKeyOQWGLOKELRFLID-RHXYESGPSA-N
MW517.83 g/mol
LogP7.00
Rot. Bonds11

About tert-butyl (4R,5R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate

tert-butyl (4R,5R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate (PubChem CID 57138168) has the molecular formula C30H51NO4Si and a molecular weight of 517.83 g/mol. Its IUPAC name is tert-butyl (4R,5R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R,5R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate
PubChem CID57138168
Molecular FormulaC30H51NO4Si
Molecular Weight517.83 g/mol
Exact Mass517.36
IUPAC Nametert-butyl (4R,5R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate
SMILESCCC(CC)CC(=O)[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)CC(C(=O)OC(C)(C)C)N1Cc1ccccc1
InChIInChI=1S/C30H51NO4Si/c1-11-22(12-2)18-26(32)27-24(21-34-36(9,10)30(6,7)8)19-25(28(33)35-29(3,4)5)31(27)20-23-16-14-13-15-17-23/h13-17,22,24-25,27H,11-12,18-21H2,1-10H3/t24-,25?,27+/m0/s1
InChIKeyOQWGLOKELRFLID-RHXYESGPSA-N
XLogP7.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.83
LogP ≤ 57.00
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

2-O-ethyl 4-O-methyl 1-methyl-5-phenylpyrrolidine-2,4-dicarboxylate
CID 13659506
2-O-tert-butyl 4-O-methyl 5-phenylpyrrolidine-2,4-dicarboxylate
CID 14530645
1-fluorobutyl (2R,4R,5R)-5-(2-acetylpentyl)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
CID 69952007
1-fluorobutyl (2R,4R,5R)-5-[2-(1-aminoethyl)pentyl]-1-benzyl-4-[[butyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
CID 69952269
1-fluorobutyl (2R,4R,5R)-5-(2-acetylpentyl)-1-benzyl-4-[[1-fluorobutyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
CID 69952914
1-Fluorobutyl 1-benzyl-5-ethenyl-4-[[1-fluorobutyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
CID 69953513
1-fluorobutyl (2R,4S,5R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenylpyrrolidine-2-carboxylate
CID 69953523
1-fluorobutyl (2R,4R,5R)-5-(3-acetamido-2-ethylbutyl)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
CID 69953666
1-fluorobutyl (2R,4R,5R)-5-[2-(1-aminoethyl)pentyl]-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
CID 69961863
1-fluorobutyl (2R,4R,5S)-1-benzyl-5-ethenyl-4-[[1-fluorobutyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
CID 69962959
1-fluorobutyl (2R,4R,5R)-5-[2-(1-aminoethyl)pentyl]-1-benzyl-4-[[1-fluorobutyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
CID 69963473
tert-butyl (2R,4R,5R)-1-benzyl-4-[[1-fluorobutyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-2-carboxylate
CID 88072183

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (4R,5R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate (CID 57138168) is tert-butyl (4R,5R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (4R,5R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (4R,5R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate is CCC(CC)CC(=O)[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)CC(C(=O)OC(C)(C)C)N1Cc1ccccc1.
What is the InChIKey of tert-butyl (4R,5R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate?
The InChIKey is OQWGLOKELRFLID-RHXYESGPSA-N. The full InChI is InChI=1S/C30H51NO4Si/c1-11-22(12-2)18-26(32)27-24(21-34-36(9,10)30(6,7)8)19-25(28(33)35-29(3,4)5)31(27)20-23-16-14-13-15-17-23/h13-17,22,24-25,27H,11-12,18-21H2,1-10H3/t24-,25?,27+/m0/s1.
What are the key properties of tert-butyl (4R,5R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate?
tert-butyl (4R,5R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate has a molecular weight of 517.83 g/mol, XLogP of 7.00, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R,5R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 57138168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).