(2S,4R)-1-acetyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid;1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropane-1-carboxylic acid;(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylic acid;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylate;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate

C97H152F4N10O18Si5 — CID 159138495

IUPAC(2S,4R)-1-acetyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid;1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropane-1-carboxylic acid;(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylic acid;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylate;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate
SMILESCC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O.CC(=O)Nc1cc2c(/C=C/c3ccccc3F)n[nH]c2cc1F.CC(C)(C)[Si](C)(C)OCC1(C(=O)O)CC1.CN1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O.COC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1.COC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C.O=C(Nc1cc2c(/C=C/c3ccccc3F)n[nH]c2cc1F)C1CC1
InChIInChI=1S/C19H15F2N3O.C17H13F2N3O.C13H25NO4Si.C13H27NO3Si.2C12H25NO3Si.C11H22O3Si/c20-14-4-2-1-3-11(14)7-8-16-13-9-18(22-19(25)12-5-6-12)15(21)10-17(13)24-23-16;1-10(23)20-17-8-12-15(21-22-16(12)9-14(17)19)7-6-11-4-2-3-5-13(11)18;1-9(15)14-8-10(7-11(14)12(16)17)18-19(5,6)13(2,3)4;1-13(2,3)18(6,7)17-10-8-11(12(15)16-5)14(4)9-10;1-12(2,3)17(5,6)16-9-7-10(13-8-9)11(14)15-4;1-12(2,3)17(5,6)16-9-7-10(11(14)15)13(4)8-9;1-10(2,3)15(4,5)14-8-11(6-7-11)9(12)13/h1-4,7-10,12H,5-6H2,(H,22,25)(H,23,24);2-9H,1H3,(H,20,23)(H,21,22);10-11H,7-8H2,1-6H3,(H,16,17);10-11H,8-9H2,1-7H3;9-10,13H,7-8H2,1-6H3;9-10H,7-8H2,1-6H3,(H,14,15);6-8H2,1-5H3,(H,12,13)/b8-7+;7-6+;;;;;/t;;2*10-,11+;2*9-,10+;/m..1111./s1
InChIKeyKHUNHCFSOOXSSL-CXLFTMLMSA-N
MW1962.76 g/mol
LogP19.62
Rot. Bonds23

About (2S,4R)-1-acetyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid;1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropane-1-carboxylic acid;(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylic acid;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylate;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate

(2S,4R)-1-acetyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid;1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropane-1-carboxylic acid;(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylic acid;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylate;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate (PubChem CID 159138495) has the molecular formula C97H152F4N10O18Si5 and a molecular weight of 1962.76 g/mol. Its IUPAC name is (2S,4R)-1-acetyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid;1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropane-1-carboxylic acid;(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylic acid;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylate;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2S,4R)-1-acetyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid;1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropane-1-carboxylic acid;(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylic acid;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylate;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate
PubChem CID159138495
Molecular FormulaC97H152F4N10O18Si5
Molecular Weight1962.76 g/mol
Exact Mass1961.01
IUPAC Name(2S,4R)-1-acetyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid;1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropane-1-carboxylic acid;(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylic acid;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylate;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate
SMILESCC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O.CC(=O)Nc1cc2c(/C=C/c3ccccc3F)n[nH]c2cc1F.CC(C)(C)[Si](C)(C)OCC1(C(=O)O)CC1.CN1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O.COC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1.COC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C.O=C(Nc1cc2c(/C=C/c3ccccc3F)n[nH]c2cc1F)C1CC1
InChIInChI=1S/C19H15F2N3O.C17H13F2N3O.C13H25NO4Si.C13H27NO3Si.2C12H25NO3Si.C11H22O3Si/c20-14-4-2-1-3-11(14)7-8-16-13-9-18(22-19(25)12-5-6-12)15(21)10-17(13)24-23-16;1-10(23)20-17-8-12-15(21-22-16(12)9-14(17)19)7-6-11-4-2-3-5-13(11)18;1-9(15)14-8-10(7-11(14)12(16)17)18-19(5,6)13(2,3)4;1-13(2,3)18(6,7)17-10-8-11(12(15)16-5)14(4)9-10;1-12(2,3)17(5,6)16-9-7-10(13-8-9)11(14)15-4;1-12(2,3)17(5,6)16-9-7-10(11(14)15)13(4)8-9;1-10(2,3)15(4,5)14-8-11(6-7-11)9(12)13/h1-4,7-10,12H,5-6H2,(H,22,25)(H,23,24);2-9H,1H3,(H,20,23)(H,21,22);10-11H,7-8H2,1-6H3,(H,16,17);10-11H,8-9H2,1-7H3;9-10,13H,7-8H2,1-6H3;9-10H,7-8H2,1-6H3,(H,14,15);6-8H2,1-5H3,(H,12,13)/b8-7+;7-6+;;;;;/t;;2*10-,11+;2*9-,10+;/m..1111./s1
InChIKeyKHUNHCFSOOXSSL-CXLFTMLMSA-N
XLogP19.62
TPSA365.03 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001962.76
LogP ≤ 519.62
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze (2S,4R)-1-acetyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid;1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropane-1-carboxylic acid;(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylic acid;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylate;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-acetyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid;1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropane-1-carboxylic acid;(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylic acid;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylate;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate?
The IUPAC name of (2S,4R)-1-acetyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid;1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropane-1-carboxylic acid;(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylic acid;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylate;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate (CID 159138495) is (2S,4R)-1-acetyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid;1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropane-1-carboxylic acid;(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylic acid;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylate;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate.
What is the SMILES notation for (2S,4R)-1-acetyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid;1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropane-1-carboxylic acid;(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylic acid;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylate;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate?
The canonical SMILES for (2S,4R)-1-acetyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid;1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropane-1-carboxylic acid;(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylic acid;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylate;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate is CC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O.CC(=O)Nc1cc2c(/C=C/c3ccccc3F)n[nH]c2cc1F.CC(C)(C)[Si](C)(C)OCC1(C(=O)O)CC1.CN1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O.COC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1.COC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C.O=C(Nc1cc2c(/C=C/c3ccccc3F)n[nH]c2cc1F)C1CC1.
What is the InChIKey of (2S,4R)-1-acetyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid;1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropane-1-carboxylic acid;(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylic acid;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylate;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate?
The InChIKey is KHUNHCFSOOXSSL-CXLFTMLMSA-N. The full InChI is InChI=1S/C19H15F2N3O.C17H13F2N3O.C13H25NO4Si.C13H27NO3Si.2C12H25NO3Si.C11H22O3Si/c20-14-4-2-1-3-11(14)7-8-16-13-9-18(22-19(25)12-5-6-12)15(21)10-17(13)24-23-16;1-10(23)20-17-8-12-15(21-22-16(12)9-14(17)19)7-6-11-4-2-3-5-13(11)18;1-9(15)14-8-10(7-11(14)12(16)17)18-19(5,6)13(2,3)4;1-13(2,3)18(6,7)17-10-8-11(12(15)16-5)14(4)9-10;1-12(2,3)17(5,6)16-9-7-10(13-8-9)11(14)15-4;1-12(2,3)17(5,6)16-9-7-10(11(14)15)13(4)8-9;1-10(2,3)15(4,5)14-8-11(6-7-11)9(12)13/h1-4,7-10,12H,5-6H2,(H,22,25)(H,23,24);2-9H,1H3,(H,20,23)(H,21,22);10-11H,7-8H2,1-6H3,(H,16,17);10-11H,8-9H2,1-7H3;9-10,13H,7-8H2,1-6H3;9-10H,7-8H2,1-6H3,(H,14,15);6-8H2,1-5H3,(H,12,13)/b8-7+;7-6+;;;;;/t;;2*10-,11+;2*9-,10+;/m..1111./s1.
What are the key properties of (2S,4R)-1-acetyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid;1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropane-1-carboxylic acid;(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylic acid;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylate;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate?
(2S,4R)-1-acetyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid;1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropane-1-carboxylic acid;(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylic acid;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylate;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate has a molecular weight of 1962.76 g/mol, XLogP of 19.62, 23 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-acetyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid;1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropane-1-carboxylic acid;(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylic acid;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidine-2-carboxylate;methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate is sourced from PubChem (CID 159138495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).