methyl (2R,5S)-2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-5-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate

C32H43NO5Si — CID 11827746

IUPACmethyl (2R,5S)-2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-5-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1[C@H](CCCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@H]1[C@@H]1C=C(C)C(=O)O1
InChIInChI=1S/C32H43NO5Si/c1-24-23-29(38-30(24)34)28-21-20-25(33(28)31(35)36-5)15-9-8-14-22-37-39(32(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h6-7,10-13,16-19,23,25,28-29H,8-9,14-15,20-22H2,1-5H3/t25-,28+,29+/m1/s1
InChIKeyXDGGGLGSDQHRQI-IGBKUBFESA-N
MW549.78 g/mol
LogP5.59
Rot. Bonds10

About methyl (2R,5S)-2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-5-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate

methyl (2R,5S)-2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-5-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate (PubChem CID 11827746) has the molecular formula C32H43NO5Si and a molecular weight of 549.78 g/mol. Its IUPAC name is methyl (2R,5S)-2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-5-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R,5S)-2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-5-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
PubChem CID11827746
Molecular FormulaC32H43NO5Si
Molecular Weight549.78 g/mol
Exact Mass549.29
IUPAC Namemethyl (2R,5S)-2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-5-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1[C@H](CCCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@H]1[C@@H]1C=C(C)C(=O)O1
InChIInChI=1S/C32H43NO5Si/c1-24-23-29(38-30(24)34)28-21-20-25(33(28)31(35)36-5)15-9-8-14-22-37-39(32(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h6-7,10-13,16-19,23,25,28-29H,8-9,14-15,20-22H2,1-5H3/t25-,28+,29+/m1/s1
InChIKeyXDGGGLGSDQHRQI-IGBKUBFESA-N
XLogP5.59
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.78
LogP ≤ 55.59
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'}

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Related Compounds

(2R)-2-[(E,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,6-dimethylhept-2-enyl]-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-2H-furan-5-one
CID 44138458
(1R,2R,9R)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-10-azatricyclo[8.3.0.02,6]trideca-5,7-diene-4,11-dione
CID 11540114
(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 (2R)-2-[(6R,7aS)-6-[tert-butyl(diphenyl)silyl]oxy-2-oxo-6,7-dihydro-1-benzofuran-7a-yl]pyrrolidine-1-carboxylate
CID 135025801
(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 (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
CID 10554013
tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R)-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
CID 10839786
(3S,8S,8aS)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-methoxy-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 10863026

Frequently Asked Questions

What is the IUPAC name of methyl (2R,5S)-2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-5-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of methyl (2R,5S)-2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-5-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate (CID 11827746) is methyl (2R,5S)-2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-5-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (2R,5S)-2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-5-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for methyl (2R,5S)-2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-5-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate is COC(=O)N1[C@H](CCCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@H]1[C@@H]1C=C(C)C(=O)O1.
What is the InChIKey of methyl (2R,5S)-2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-5-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is XDGGGLGSDQHRQI-IGBKUBFESA-N. The full InChI is InChI=1S/C32H43NO5Si/c1-24-23-29(38-30(24)34)28-21-20-25(33(28)31(35)36-5)15-9-8-14-22-37-39(32(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h6-7,10-13,16-19,23,25,28-29H,8-9,14-15,20-22H2,1-5H3/t25-,28+,29+/m1/s1.
What are the key properties of methyl (2R,5S)-2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-5-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
methyl (2R,5S)-2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-5-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 549.78 g/mol, XLogP of 5.59, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,5S)-2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-5-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 11827746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).