lithium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-methylpropanoic acid;2-methylbut-3-yn-2-ol;methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxylate;trans-(1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylic acid;trans-methyl (1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylate;hydroxide;hydrochloride

C119H198ClLiN20O36S — CID 167578700

IUPAClithium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-methylpropanoic acid;2-methylbut-3-yn-2-ol;methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxylate;trans-(1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylic acid;trans-methyl (1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylate;hydroxide;hydrochloride
SMILESC#CC(C)(C)O.COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@H](n2nncc2C(C)(C)O)CC1C(=O)[C@H](C)CC1CCCCC1.COC(=O)[C@@H]1C[C@H](n2nncc2C(C)(C)O)CN1.COC(=O)[C@@H]1C[C@H](n2nncc2C(C)(C)O)CN1C(=O)OC(C)(C)C.C[C@H](CC1CCCCC1)C(=O)C1C[C@@H](n2nncc2C(C)(C)O)C[C@H]1C(=O)O.C[C@H](CC1CCCCC1)C(=O)O.Cl.[Li+].[OH-]
InChIInChI=1S/C22H35N3O4.C21H33N3O4.C16H26N4O5.C12H21NO7S.C11H18N4O4.C11H18N4O3.C11H19NO5.C10H18O2.C5H8O.ClH.Li.H2O/c1-14(10-15-8-6-5-7-9-15)20(26)17-11-16(12-18(17)21(27)29-4)25-19(13-23-24-25)22(2,3)28;1-13(9-14-7-5-4-6-8-14)19(25)16-10-15(11-17(16)20(26)27)24-18(12-22-23-24)21(2,3)28;1-15(2,3)25-14(22)19-9-10(7-11(19)13(21)24-6)20-12(8-17-18-20)16(4,5)23;1-12(2,3)19-11(15)13-7-8(20-21(5,16)17)6-9(13)10(14)18-4;1-11(2,3)19-10(17)15-6-7(13-14-12)5-8(15)9(16)18-4;1-11(2,17)9-6-13-14-15(9)7-4-8(12-5-7)10(16)18-3;1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4;1-8(10(11)12)7-9-5-3-2-4-6-9;1-4-5(2,3)6;;;/h13-18,28H,5-12H2,1-4H3;12-17,28H,4-11H2,1-3H3,(H,26,27);8,10-11,23H,7,9H2,1-6H3;8-9H,6-7H2,1-5H3;7-8H,5-6H2,1-4H3;6-8,12,17H,4-5H2,1-3H3;7-8,13H,5-6H2,1-4H3;8-9H,2-7H2,1H3,(H,11,12);1,6H,2-3H3;1H;;1H2/q;;;;;;;;;;+1;/p-1/t14-,16-,17?,18-;13-,15-,16?,17-;10-,11-;8-,9+;2*7-,8-;7-,8+;8-;;;;/m11010011..../s1
InChIKeyUBGANJXRPNOBGG-GHRRENQYSA-M
MW2559.46 g/mol
LogP10.77
Rot. Bonds29

About lithium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-methylpropanoic acid;2-methylbut-3-yn-2-ol;methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxylate;trans-(1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylic acid;trans-methyl (1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylate;hydroxide;hydrochloride

lithium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-methylpropanoic acid;2-methylbut-3-yn-2-ol;methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxylate;trans-(1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylic acid;trans-methyl (1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylate;hydroxide;hydrochloride (PubChem CID 167578700) has the molecular formula C119H198ClLiN20O36S and a molecular weight of 2559.46 g/mol. Its IUPAC name is lithium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-methylpropanoic acid;2-methylbut-3-yn-2-ol;methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxylate;trans-(1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylic acid;trans-methyl (1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylate;hydroxide;hydrochloride.

Molecular Properties

Compound Namelithium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-methylpropanoic acid;2-methylbut-3-yn-2-ol;methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxylate;trans-(1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylic acid;trans-methyl (1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylate;hydroxide;hydrochloride
PubChem CID167578700
Molecular FormulaC119H198ClLiN20O36S
Molecular Weight2559.46 g/mol
Exact Mass2557.38
IUPAC Namelithium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-methylpropanoic acid;2-methylbut-3-yn-2-ol;methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxylate;trans-(1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylic acid;trans-methyl (1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylate;hydroxide;hydrochloride
SMILESC#CC(C)(C)O.COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@H](n2nncc2C(C)(C)O)CC1C(=O)[C@H](C)CC1CCCCC1.COC(=O)[C@@H]1C[C@H](n2nncc2C(C)(C)O)CN1.COC(=O)[C@@H]1C[C@H](n2nncc2C(C)(C)O)CN1C(=O)OC(C)(C)C.C[C@H](CC1CCCCC1)C(=O)C1C[C@@H](n2nncc2C(C)(C)O)C[C@H]1C(=O)O.C[C@H](CC1CCCCC1)C(=O)O.Cl.[Li+].[OH-]
InChIInChI=1S/C22H35N3O4.C21H33N3O4.C16H26N4O5.C12H21NO7S.C11H18N4O4.C11H18N4O3.C11H19NO5.C10H18O2.C5H8O.ClH.Li.H2O/c1-14(10-15-8-6-5-7-9-15)20(26)17-11-16(12-18(17)21(27)29-4)25-19(13-23-24-25)22(2,3)28;1-13(9-14-7-5-4-6-8-14)19(25)16-10-15(11-17(16)20(26)27)24-18(12-22-23-24)21(2,3)28;1-15(2,3)25-14(22)19-9-10(7-11(19)13(21)24-6)20-12(8-17-18-20)16(4,5)23;1-12(2,3)19-11(15)13-7-8(20-21(5,16)17)6-9(13)10(14)18-4;1-11(2,3)19-10(17)15-6-7(13-14-12)5-8(15)9(16)18-4;1-11(2,17)9-6-13-14-15(9)7-4-8(12-5-7)10(16)18-3;1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4;1-8(10(11)12)7-9-5-3-2-4-6-9;1-4-5(2,3)6;;;/h13-18,28H,5-12H2,1-4H3;12-17,28H,4-11H2,1-3H3,(H,26,27);8,10-11,23H,7,9H2,1-6H3;8-9H,6-7H2,1-5H3;7-8H,5-6H2,1-4H3;6-8,12,17H,4-5H2,1-3H3;7-8,13H,5-6H2,1-4H3;8-9H,2-7H2,1H3,(H,11,12);1,6H,2-3H3;1H;;1H2/q;;;;;;;;;;+1;/p-1/t14-,16-,17?,18-;13-,15-,16?,17-;10-,11-;8-,9+;2*7-,8-;7-,8+;8-;;;;/m11010011..../s1
InChIKeyUBGANJXRPNOBGG-GHRRENQYSA-M
XLogP10.77
TPSA763.08 Ų
H-Bond Donors9
H-Bond Acceptors48
Rotatable Bonds29
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002559.46
LogP ≤ 510.77
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze lithium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-methylpropanoic acid;2-methylbut-3-yn-2-ol;methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxylate;trans-(1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylic acid;trans-methyl (1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylate;hydroxide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-methylpropanoic acid;2-methylbut-3-yn-2-ol;methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxylate;trans-(1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylic acid;trans-methyl (1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylate;hydroxide;hydrochloride?
The IUPAC name of lithium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-methylpropanoic acid;2-methylbut-3-yn-2-ol;methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxylate;trans-(1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylic acid;trans-methyl (1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylate;hydroxide;hydrochloride (CID 167578700) is lithium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-methylpropanoic acid;2-methylbut-3-yn-2-ol;methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxylate;trans-(1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylic acid;trans-methyl (1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylate;hydroxide;hydrochloride.
What is the SMILES notation for lithium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-methylpropanoic acid;2-methylbut-3-yn-2-ol;methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxylate;trans-(1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylic acid;trans-methyl (1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylate;hydroxide;hydrochloride?
The canonical SMILES for lithium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-methylpropanoic acid;2-methylbut-3-yn-2-ol;methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxylate;trans-(1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylic acid;trans-methyl (1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylate;hydroxide;hydrochloride is C#CC(C)(C)O.COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1C[C@H](n2nncc2C(C)(C)O)CC1C(=O)[C@H](C)CC1CCCCC1.COC(=O)[C@@H]1C[C@H](n2nncc2C(C)(C)O)CN1.COC(=O)[C@@H]1C[C@H](n2nncc2C(C)(C)O)CN1C(=O)OC(C)(C)C.C[C@H](CC1CCCCC1)C(=O)C1C[C@@H](n2nncc2C(C)(C)O)C[C@H]1C(=O)O.C[C@H](CC1CCCCC1)C(=O)O.Cl.[Li+].[OH-].
What is the InChIKey of lithium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-methylpropanoic acid;2-methylbut-3-yn-2-ol;methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxylate;trans-(1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylic acid;trans-methyl (1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylate;hydroxide;hydrochloride?
The InChIKey is UBGANJXRPNOBGG-GHRRENQYSA-M. The full InChI is InChI=1S/C22H35N3O4.C21H33N3O4.C16H26N4O5.C12H21NO7S.C11H18N4O4.C11H18N4O3.C11H19NO5.C10H18O2.C5H8O.ClH.Li.H2O/c1-14(10-15-8-6-5-7-9-15)20(26)17-11-16(12-18(17)21(27)29-4)25-19(13-23-24-25)22(2,3)28;1-13(9-14-7-5-4-6-8-14)19(25)16-10-15(11-17(16)20(26)27)24-18(12-22-23-24)21(2,3)28;1-15(2,3)25-14(22)19-9-10(7-11(19)13(21)24-6)20-12(8-17-18-20)16(4,5)23;1-12(2,3)19-11(15)13-7-8(20-21(5,16)17)6-9(13)10(14)18-4;1-11(2,3)19-10(17)15-6-7(13-14-12)5-8(15)9(16)18-4;1-11(2,17)9-6-13-14-15(9)7-4-8(12-5-7)10(16)18-3;1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4;1-8(10(11)12)7-9-5-3-2-4-6-9;1-4-5(2,3)6;;;/h13-18,28H,5-12H2,1-4H3;12-17,28H,4-11H2,1-3H3,(H,26,27);8,10-11,23H,7,9H2,1-6H3;8-9H,6-7H2,1-5H3;7-8H,5-6H2,1-4H3;6-8,12,17H,4-5H2,1-3H3;7-8,13H,5-6H2,1-4H3;8-9H,2-7H2,1H3,(H,11,12);1,6H,2-3H3;1H;;1H2/q;;;;;;;;;;+1;/p-1/t14-,16-,17?,18-;13-,15-,16?,17-;10-,11-;8-,9+;2*7-,8-;7-,8+;8-;;;;/m11010011..../s1.
What are the key properties of lithium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-methylpropanoic acid;2-methylbut-3-yn-2-ol;methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxylate;trans-(1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylic acid;trans-methyl (1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylate;hydroxide;hydrochloride?
lithium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-methylpropanoic acid;2-methylbut-3-yn-2-ol;methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxylate;trans-(1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylic acid;trans-methyl (1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylate;hydroxide;hydrochloride has a molecular weight of 2559.46 g/mol, XLogP of 10.77, 29 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate;(2R)-3-cyclohexyl-2-methylpropanoic acid;2-methylbut-3-yn-2-ol;methyl (2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxylate;trans-(1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylic acid;trans-methyl (1R,4R)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]cyclopentane-1-carboxylate;hydroxide;hydrochloride is sourced from PubChem (CID 167578700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).