tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate

C30H39NO5Si — CID 10554013

IUPACtert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@H]1[C@@H]1C=CC(=O)O1
InChIInChI=1S/C30H39NO5Si/c1-29(2,3)36-28(33)31-22(17-18-25(31)26-19-20-27(32)35-26)21-34-37(30(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,19-20,22,25-26H,17-18,21H2,1-6H3/t22-,25-,26-/m0/s1
InChIKeyHCIMKNFDRJRFNN-HRNNMHKYSA-N
MW521.73 g/mol
LogP4.81
Rot. Bonds6

About tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate

tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate (PubChem CID 10554013) has the molecular formula C30H39NO5Si and a molecular weight of 521.73 g/mol. Its IUPAC name is tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
PubChem CID10554013
Molecular FormulaC30H39NO5Si
Molecular Weight521.73 g/mol
Exact Mass521.26
IUPAC Nametert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@H]1[C@@H]1C=CC(=O)O1
InChIInChI=1S/C30H39NO5Si/c1-29(2,3)36-28(33)31-22(17-18-25(31)26-19-20-27(32)35-26)21-34-37(30(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,19-20,22,25-26H,17-18,21H2,1-6H3/t22-,25-,26-/m0/s1
InChIKeyHCIMKNFDRJRFNN-HRNNMHKYSA-N
XLogP4.81
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.73
LogP ≤ 54.81
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

(5R)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one
CID 11713074
tert-butyl (4R,5S)-5-[(1S)-1-[(2R,3R,4E,6E,8E,10E,12S,14S,16Z,18E,20Z,22E)-12-[tert-butyl(diphenyl)silyl]oxy-14-methoxy-3,6,17,20-tetramethyl-24-oxo-1-oxacyclotetracosa-4,6,8,10,16,18,20,22-octaen-2-yl]ethyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 24824417
(5R)-1-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one
CID 134848013
tert-butyl (2S)-2-[(6S,7aS)-6-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4,5,6,7-tetrahydro-1-benzofuran-7a-yl]pyrrolidine-1-carboxylate
CID 134848021
tert-butyl (2S,3S,5R)-2-(2-methylprop-2-enyl)-5-[(2R)-5-oxo-2H-furan-2-yl]-3-[(2S)-2-phenylpropyl]pyrrolidine-1-carboxylate
CID 134848207
tert-butyl (2R)-2-[(6R,7aS)-6-[tert-butyl(diphenyl)silyl]oxy-2-oxo-6,7-dihydro-1-benzofuran-7a-yl]pyrrolidine-1-carboxylate
CID 135025801
methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hept-2-enoate
CID 135070430
(1R,2R,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.3.0.02,6]trideca-5,7-dien-4-one
CID 11496292
tert-butyl (2S)-2-[(2S,4Z)-4-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
CID 11813872
Tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 67033521
(2R,4R)-tert-butyl 4-(tert-butyldiphenylsilyloxy)-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 67044055
(2S,4S)4-acetoxy-1-tert-butoxycarbonyl-2-tert-butyldiphenylsilyloxymethypyrrolidine
CID 69340895

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate (CID 10554013) is tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@H]1[C@@H]1C=CC(=O)O1.
What is the InChIKey of tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is HCIMKNFDRJRFNN-HRNNMHKYSA-N. The full InChI is InChI=1S/C30H39NO5Si/c1-29(2,3)36-28(33)31-22(17-18-25(31)26-19-20-27(32)35-26)21-34-37(30(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,19-20,22,25-26H,17-18,21H2,1-6H3/t22-,25-,26-/m0/s1.
What are the key properties of tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 521.73 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 10554013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).