prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]-hydroxymethyl]pyrrolidine-1-carboxylate

C26H49N3O5Si2 — CID 67752257

IUPACprop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]-hydroxymethyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(O)c1cn[nH]c1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H49N3O5Si2/c1-12-14-32-24(31)29-18-19(34-36(10,11)26(5,6)7)16-22(29)23(30)20-17-27-28-21(20)13-15-33-35(8,9)25(2,3)4/h12,17,19,22-23,30H,1,13-16,18H2,2-11H3,(H,27,28)/t19-,22+,23?/m1/s1
InChIKeyWZEAUGKRDRXCBE-BSJAROSPSA-N
MW539.87 g/mol
LogP5.79
Rot. Bonds10

About prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]-hydroxymethyl]pyrrolidine-1-carboxylate

prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]-hydroxymethyl]pyrrolidine-1-carboxylate (PubChem CID 67752257) has the molecular formula C26H49N3O5Si2 and a molecular weight of 539.87 g/mol. Its IUPAC name is prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]-hydroxymethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]-hydroxymethyl]pyrrolidine-1-carboxylate
PubChem CID67752257
Molecular FormulaC26H49N3O5Si2
Molecular Weight539.87 g/mol
Exact Mass539.32
IUPAC Nameprop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]-hydroxymethyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(O)c1cn[nH]c1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H49N3O5Si2/c1-12-14-32-24(31)29-18-19(34-36(10,11)26(5,6)7)16-22(29)23(30)20-17-27-28-21(20)13-15-33-35(8,9)25(2,3)4/h12,17,19,22-23,30H,1,13-16,18H2,2-11H3,(H,27,28)/t19-,22+,23?/m1/s1
InChIKeyWZEAUGKRDRXCBE-BSJAROSPSA-N
XLogP5.79
TPSA96.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.87
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-1-carboxylate
CID 67752379
prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-(3-methylimidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate
CID 20639573
prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 67752118
prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate
CID 57199298
prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-4-hydroxybut-2-en-2-yl]pyrrolidine-1-carboxylate
CID 67809336
prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[ethanethioyloxy(imidazo[5,1-b][1,3]thiazol-3-yl)methyl]pyrrolidine-1-carboxylate
CID 20639565
prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(imidazo[1,2-b]pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate
CID 18652162
prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-3-yl]methyl]pyrrolidine-1-carboxylate
CID 67752185
prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1-oxidopyridin-1-ium-4-yl)methyl]pyrrolidine-1-carboxylate
CID 54122586
prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(imidazo[5,1-b][1,3]thiazol-3-ylmethyl)pyrrolidine-1-carboxylate
CID 20639566
prop-2-enyl 4-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enoxycarbonylpyrrolidin-2-yl]methyl]-3-oxopiperazine-1-carboxylate
CID 54155177
tert-butyl (2S,4R)-2-[(1S)-3-amino-1-hydroxypropyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 10690844

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]-hydroxymethyl]pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]-hydroxymethyl]pyrrolidine-1-carboxylate (CID 67752257) is prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]-hydroxymethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]-hydroxymethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]-hydroxymethyl]pyrrolidine-1-carboxylate is C=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(O)c1cn[nH]c1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]-hydroxymethyl]pyrrolidine-1-carboxylate?
The InChIKey is WZEAUGKRDRXCBE-BSJAROSPSA-N. The full InChI is InChI=1S/C26H49N3O5Si2/c1-12-14-32-24(31)29-18-19(34-36(10,11)26(5,6)7)16-22(29)23(30)20-17-27-28-21(20)13-15-33-35(8,9)25(2,3)4/h12,17,19,22-23,30H,1,13-16,18H2,2-11H3,(H,27,28)/t19-,22+,23?/m1/s1.
What are the key properties of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]-hydroxymethyl]pyrrolidine-1-carboxylate?
prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]-hydroxymethyl]pyrrolidine-1-carboxylate has a molecular weight of 539.87 g/mol, XLogP of 5.79, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]-hydroxymethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 67752257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).