tert-butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(isocyanomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide

C121H195N13O24S — CID 161036708

IUPACtert-butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(isocyanomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
SMILESC/C(=C\c1ccccc1)CNCCC1CCCN1C(=O)OC(C)(C)C.C/C(=C\c1ccccc1)CNCC[C@@H]1CCCN1C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N1CCCC1C(=O)O.CC(C)(C)OC(=O)N1CCCC1CCN.CC(C)(C)OC(=O)N1CCCC1CO.CC(C)(C)OC(=O)N1CCCC1COS(C)(=O)=O.COc1cc(C(=O)N(CC[C@@H]2CCCN2)C/C(C)=C/c2ccccc2)cc(OC)c1OC.[C-]#[N+]CC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C26H34N2O4.2C21H32N2O2.C11H18N2O2.C11H22N2O2.C11H21NO5S.C10H17NO4.C10H19NO3/c1-19(15-20-9-6-5-7-10-20)18-28(14-12-22-11-8-13-27-22)26(29)21-16-23(30-2)25(32-4)24(17-21)31-3;2*1-17(15-18-9-6-5-7-10-18)16-22-13-12-19-11-8-14-23(19)20(24)25-21(2,3)4;1-11(2,3)15-10(14)13-7-5-6-9(13)8-12-4;1-11(2,3)15-10(14)13-8-4-5-9(13)6-7-12;1-11(2,3)17-10(13)12-7-5-6-9(12)8-16-18(4,14)15;1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13;1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h5-7,9-10,15-17,22,27H,8,11-14,18H2,1-4H3;2*5-7,9-10,15,19,22H,8,11-14,16H2,1-4H3;9H,5-8H2,1-3H3;9H,4-8,12H2,1-3H3;9H,5-8H2,1-4H3;7H,4-6H2,1-3H3,(H,12,13);8,12H,4-7H2,1-3H3/b19-15+;2*17-15+;;;;;/t22-;19-;;;;;;/m00....../s1
InChIKeyUAIPRNWMKNOOLI-YIHRJQSBSA-N
MW2248.02 g/mol
LogP21.59
Rot. Bonds30

About tert-butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(isocyanomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide

tert-butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(isocyanomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide (PubChem CID 161036708) has the molecular formula C121H195N13O24S and a molecular weight of 2248.02 g/mol. Its IUPAC name is tert-butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(isocyanomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide.

Molecular Properties

Compound Nametert-butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(isocyanomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
PubChem CID161036708
Molecular FormulaC121H195N13O24S
Molecular Weight2248.02 g/mol
Exact Mass2246.42
IUPAC Nametert-butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(isocyanomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
SMILESC/C(=C\c1ccccc1)CNCCC1CCCN1C(=O)OC(C)(C)C.C/C(=C\c1ccccc1)CNCC[C@@H]1CCCN1C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N1CCCC1C(=O)O.CC(C)(C)OC(=O)N1CCCC1CCN.CC(C)(C)OC(=O)N1CCCC1CO.CC(C)(C)OC(=O)N1CCCC1COS(C)(=O)=O.COc1cc(C(=O)N(CC[C@@H]2CCCN2)C/C(C)=C/c2ccccc2)cc(OC)c1OC.[C-]#[N+]CC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C26H34N2O4.2C21H32N2O2.C11H18N2O2.C11H22N2O2.C11H21NO5S.C10H17NO4.C10H19NO3/c1-19(15-20-9-6-5-7-10-20)18-28(14-12-22-11-8-13-27-22)26(29)21-16-23(30-2)25(32-4)24(17-21)31-3;2*1-17(15-18-9-6-5-7-10-18)16-22-13-12-19-11-8-14-23(19)20(24)25-21(2,3)4;1-11(2,3)15-10(14)13-7-5-6-9(13)8-12-4;1-11(2,3)15-10(14)13-8-4-5-9(13)6-7-12;1-11(2,3)17-10(13)12-7-5-6-9(12)8-16-18(4,14)15;1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13;1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h5-7,9-10,15-17,22,27H,8,11-14,18H2,1-4H3;2*5-7,9-10,15,19,22H,8,11-14,16H2,1-4H3;9H,5-8H2,1-3H3;9H,4-8,12H2,1-3H3;9H,5-8H2,1-4H3;7H,4-6H2,1-3H3,(H,12,13);8,12H,4-7H2,1-3H3/b19-15+;2*17-15+;;;;;/t22-;19-;;;;;;/m00....../s1
InChIKeyUAIPRNWMKNOOLI-YIHRJQSBSA-N
XLogP21.59
TPSA422.15 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds30
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002248.02
LogP ≤ 521.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze tert-butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(isocyanomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide with MolForge

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Related Compounds

tert-butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(isocyanomethyl)pyrrolidine-1-carboxylate;bis(tert-butyl 2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate);tert-butyl 2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;pyrrolidine-2-carboxylic acid;3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 157288917
tert-butyl 2-[2-[(2-methyl-3-phenylprop-2-enyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 72524883
3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 68703499
(3S)-3-benzyl-1-(2-isocyanoethyl)piperazine;(2S)-2-benzylpiperazine;3-[(3S)-3-benzylpiperazin-1-yl]propan-1-amine;bis((E)-N-[3-[(3S)-3-benzylpiperazin-1-yl]propyl]-2-methyl-3-phenylprop-2-en-1-amine);N-[3-[(3S)-3-benzylpiperazin-1-yl]propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 158017844
3,4,5-trimethoxy-N-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-N-(2-methyl-3-phenylprop-2-enyl)benzamide
CID 91252358
tert-butyl 2-[2-[[3-(4-fluorophenyl)-2-methylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate
CID 72651225
tert-butyl 2-[[(2-methyl-3-phenylprop-2-enyl)amino]methyl]pyrrolidine-1-carboxylate
CID 68682190
tert-butyl (2R)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2R)-2-[[[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]amino]methyl]pyrrolidine-1-carboxylate;tert-butyl 2-[[[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-(3,5-dimethoxybenzoyl)amino]methyl]pyrrolidine-1-carboxylate;N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3,5-dimethoxybenzamide;bis(N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3,5-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide)
CID 161081016
benzyl N-[(1-cyclohexylpyrrolidin-2-yl)methyl]carbamate;benzyl N-(pyrrolidin-2-ylmethyl)carbamate;tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;(1-cyclohexylpyrrolidin-2-yl)methanamine;N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2,2-difluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]-1,3-dihydroindene-5-carboxamide;bis((E)-N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2-methyl-3-phenylprop-2-en-1-amine)
CID 160744211
N-[3-(3-benzylpiperazin-1-yl)propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 87539342
(2S)-N,N-dimethyl-1-[3-[(2-methyl-3-phenylprop-2-enyl)-(3,4,5-trimethoxybenzoyl)amino]propyl]pyrrolidine-2-carboxamide
CID 68682739
N-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 58927141

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(isocyanomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide?
The IUPAC name of tert-butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(isocyanomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide (CID 161036708) is tert-butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(isocyanomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide.
What is the SMILES notation for tert-butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(isocyanomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide?
The canonical SMILES for tert-butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(isocyanomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide is C/C(=C\c1ccccc1)CNCCC1CCCN1C(=O)OC(C)(C)C.C/C(=C\c1ccccc1)CNCC[C@@H]1CCCN1C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N1CCCC1C(=O)O.CC(C)(C)OC(=O)N1CCCC1CCN.CC(C)(C)OC(=O)N1CCCC1CO.CC(C)(C)OC(=O)N1CCCC1COS(C)(=O)=O.COc1cc(C(=O)N(CC[C@@H]2CCCN2)C/C(C)=C/c2ccccc2)cc(OC)c1OC.[C-]#[N+]CC1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(isocyanomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide?
The InChIKey is UAIPRNWMKNOOLI-YIHRJQSBSA-N. The full InChI is InChI=1S/C26H34N2O4.2C21H32N2O2.C11H18N2O2.C11H22N2O2.C11H21NO5S.C10H17NO4.C10H19NO3/c1-19(15-20-9-6-5-7-10-20)18-28(14-12-22-11-8-13-27-22)26(29)21-16-23(30-2)25(32-4)24(17-21)31-3;2*1-17(15-18-9-6-5-7-10-18)16-22-13-12-19-11-8-14-23(19)20(24)25-21(2,3)4;1-11(2,3)15-10(14)13-7-5-6-9(13)8-12-4;1-11(2,3)15-10(14)13-8-4-5-9(13)6-7-12;1-11(2,3)17-10(13)12-7-5-6-9(12)8-16-18(4,14)15;1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13;1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h5-7,9-10,15-17,22,27H,8,11-14,18H2,1-4H3;2*5-7,9-10,15,19,22H,8,11-14,16H2,1-4H3;9H,5-8H2,1-3H3;9H,4-8,12H2,1-3H3;9H,5-8H2,1-4H3;7H,4-6H2,1-3H3,(H,12,13);8,12H,4-7H2,1-3H3/b19-15+;2*17-15+;;;;;/t22-;19-;;;;;;/m00....../s1.
What are the key properties of tert-butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(isocyanomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide?
tert-butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(isocyanomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide has a molecular weight of 2248.02 g/mol, XLogP of 21.59, 30 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(isocyanomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate;tert-butyl 2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide is sourced from PubChem (CID 161036708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).