cyclopropyl-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]methanone;1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone;2-hydroxy-1-[4-(2-methylpropylamino)piperidin-1-yl]ethanone;2-hydroxy-N-(2-methylpropyl)-N-[(3R)-pyrrolidin-3-yl]acetamide;2-hydroxy-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]acetamide;4-methoxy-1-(2-methylpropyl)piperidine;3-methylbutane-1,2-diol;2-methylpropane;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]acetic acid;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanol;1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone;(3R)-N-(2-methylpropyl)-1-methylsulfonylpyrrolidin-3-amine;4-(2-methylpropyl)oxane;2-[2-methylpropyl-[(3S)-oxolan-3-yl]amino]ethanol;[1-(2-methylpropyl)piperidin-4-yl]carbamic acid;4-propan-2-yloxane;3-propan-2-yloxetane

C158H321N21O24S — CID 167535395

IUPACcyclopropyl-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]methanone;1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone;2-hydroxy-1-[4-(2-methylpropylamino)piperidin-1-yl]ethanone;2-hydroxy-N-(2-methylpropyl)-N-[(3R)-pyrrolidin-3-yl]acetamide;2-hydroxy-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]acetamide;4-methoxy-1-(2-methylpropyl)piperidine;3-methylbutane-1,2-diol;2-methylpropane;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]acetic acid;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanol;1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone;(3R)-N-(2-methylpropyl)-1-methylsulfonylpyrrolidin-3-amine;4-(2-methylpropyl)oxane;2-[2-methylpropyl-[(3S)-oxolan-3-yl]amino]ethanol;[1-(2-methylpropyl)piperidin-4-yl]carbamic acid;4-propan-2-yloxane;3-propan-2-yloxetane
SMILESCC(=O)N1CC[C@@H](NCC(C)C)C1.CC(C)C.CC(C)C(O)CO.CC(C)C1CCOCC1.CC(C)C1COC1.CC(C)CC1CCOCC1.CC(C)CN(C(=O)CO)[C@@H]1CCNC1.CC(C)CN(CCO)[C@H]1CCOC1.CC(C)CN1CCC(NC(=O)O)CC1.CC(C)CN1CCC[C@H]1CNC(=O)CO.CC(C)CN1CC[C@@H](CC(=O)C2CC2)C1.CC(C)CNC1CCN(C(=O)CO)CC1.CC(C)CN[C@@H]1CCN(C(=O)C2CC2)C1.CC(C)CN[C@@H]1CCN(CC(=O)O)C1.CC(C)CN[C@@H]1CCN(CCO)C1.CC(C)CN[C@@H]1CCN(S(C)(=O)=O)C1.COC1CCN(CC(C)C)CC1
InChIInChI=1S/C13H23NO.C12H22N2O.2C11H22N2O2.3C10H20N2O2.C10H20N2O.C10H22N2O.C10H21NO2.C10H21NO.C9H20N2O2S.C9H18O.C8H16O.C6H12O.C5H12O2.C4H10/c1-10(2)8-14-6-5-11(9-14)7-13(15)12-3-4-12;1-9(2)7-13-11-5-6-14(8-11)12(15)10-3-4-10;1-9(2)7-12-10-3-5-13(6-4-10)11(15)8-14;1-9(2)7-13-5-3-4-10(13)6-12-11(15)8-14;1-8(2)7-12-5-3-9(4-6-12)11-10(13)14;1-8(2)6-12(10(14)7-13)9-3-4-11-5-9;1-8(2)5-11-9-3-4-12(6-9)7-10(13)14;1-8(2)6-11-10-4-5-12(7-10)9(3)13;1-9(2)7-11-10-3-4-12(8-10)5-6-13;1-9(2)7-11(4-5-12)10-3-6-13-8-10;1-9(2)8-11-6-4-10(12-3)5-7-11;1-8(2)6-10-9-4-5-11(7-9)14(3,12)13;1-8(2)7-9-3-5-10-6-4-9;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-4-6;1-4(2)5(7)3-6;1-4(2)3/h10-12H,3-9H2,1-2H3;9-11,13H,3-8H2,1-2H3;9-10,12,14H,3-8H2,1-2H3;9-10,14H,3-8H2,1-2H3,(H,12,15);8-9,11H,3-7H2,1-2H3,(H,13,14);8-9,11,13H,3-7H2,1-2H3;8-9,11H,3-7H2,1-2H3,(H,13,14);8,10-11H,4-7H2,1-3H3;9-11,13H,3-8H2,1-2H3;9-10,12H,3-8H2,1-2H3;9-10H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3;4-7H,3H2,1-2H3;4H,1-3H3/t2*11-;;10-;;2*9-;3*10-;;9-;;;;;/m01.0.11110.1...../s1
InChIKeyAMNUAYXPTIYPIA-BBYSGORRSA-N
MW2931.50 g/mol
LogP16.97
Rot. Bonds56

About cyclopropyl-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]methanone;1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone;2-hydroxy-1-[4-(2-methylpropylamino)piperidin-1-yl]ethanone;2-hydroxy-N-(2-methylpropyl)-N-[(3R)-pyrrolidin-3-yl]acetamide;2-hydroxy-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]acetamide;4-methoxy-1-(2-methylpropyl)piperidine;3-methylbutane-1,2-diol;2-methylpropane;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]acetic acid;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanol;1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone;(3R)-N-(2-methylpropyl)-1-methylsulfonylpyrrolidin-3-amine;4-(2-methylpropyl)oxane;2-[2-methylpropyl-[(3S)-oxolan-3-yl]amino]ethanol;[1-(2-methylpropyl)piperidin-4-yl]carbamic acid;4-propan-2-yloxane;3-propan-2-yloxetane

cyclopropyl-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]methanone;1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone;2-hydroxy-1-[4-(2-methylpropylamino)piperidin-1-yl]ethanone;2-hydroxy-N-(2-methylpropyl)-N-[(3R)-pyrrolidin-3-yl]acetamide;2-hydroxy-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]acetamide;4-methoxy-1-(2-methylpropyl)piperidine;3-methylbutane-1,2-diol;2-methylpropane;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]acetic acid;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanol;1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone;(3R)-N-(2-methylpropyl)-1-methylsulfonylpyrrolidin-3-amine;4-(2-methylpropyl)oxane;2-[2-methylpropyl-[(3S)-oxolan-3-yl]amino]ethanol;[1-(2-methylpropyl)piperidin-4-yl]carbamic acid;4-propan-2-yloxane;3-propan-2-yloxetane (PubChem CID 167535395) has the molecular formula C158H321N21O24S and a molecular weight of 2931.50 g/mol. Its IUPAC name is cyclopropyl-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]methanone;1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone;2-hydroxy-1-[4-(2-methylpropylamino)piperidin-1-yl]ethanone;2-hydroxy-N-(2-methylpropyl)-N-[(3R)-pyrrolidin-3-yl]acetamide;2-hydroxy-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]acetamide;4-methoxy-1-(2-methylpropyl)piperidine;3-methylbutane-1,2-diol;2-methylpropane;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]acetic acid;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanol;1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone;(3R)-N-(2-methylpropyl)-1-methylsulfonylpyrrolidin-3-amine;4-(2-methylpropyl)oxane;2-[2-methylpropyl-[(3S)-oxolan-3-yl]amino]ethanol;[1-(2-methylpropyl)piperidin-4-yl]carbamic acid;4-propan-2-yloxane;3-propan-2-yloxetane.

Molecular Properties

Compound Namecyclopropyl-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]methanone;1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone;2-hydroxy-1-[4-(2-methylpropylamino)piperidin-1-yl]ethanone;2-hydroxy-N-(2-methylpropyl)-N-[(3R)-pyrrolidin-3-yl]acetamide;2-hydroxy-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]acetamide;4-methoxy-1-(2-methylpropyl)piperidine;3-methylbutane-1,2-diol;2-methylpropane;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]acetic acid;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanol;1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone;(3R)-N-(2-methylpropyl)-1-methylsulfonylpyrrolidin-3-amine;4-(2-methylpropyl)oxane;2-[2-methylpropyl-[(3S)-oxolan-3-yl]amino]ethanol;[1-(2-methylpropyl)piperidin-4-yl]carbamic acid;4-propan-2-yloxane;3-propan-2-yloxetane
PubChem CID167535395
Molecular FormulaC158H321N21O24S
Molecular Weight2931.50 g/mol
Exact Mass2929.43
IUPAC Namecyclopropyl-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]methanone;1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone;2-hydroxy-1-[4-(2-methylpropylamino)piperidin-1-yl]ethanone;2-hydroxy-N-(2-methylpropyl)-N-[(3R)-pyrrolidin-3-yl]acetamide;2-hydroxy-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]acetamide;4-methoxy-1-(2-methylpropyl)piperidine;3-methylbutane-1,2-diol;2-methylpropane;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]acetic acid;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanol;1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone;(3R)-N-(2-methylpropyl)-1-methylsulfonylpyrrolidin-3-amine;4-(2-methylpropyl)oxane;2-[2-methylpropyl-[(3S)-oxolan-3-yl]amino]ethanol;[1-(2-methylpropyl)piperidin-4-yl]carbamic acid;4-propan-2-yloxane;3-propan-2-yloxetane
SMILESCC(=O)N1CC[C@@H](NCC(C)C)C1.CC(C)C.CC(C)C(O)CO.CC(C)C1CCOCC1.CC(C)C1COC1.CC(C)CC1CCOCC1.CC(C)CN(C(=O)CO)[C@@H]1CCNC1.CC(C)CN(CCO)[C@H]1CCOC1.CC(C)CN1CCC(NC(=O)O)CC1.CC(C)CN1CCC[C@H]1CNC(=O)CO.CC(C)CN1CC[C@@H](CC(=O)C2CC2)C1.CC(C)CNC1CCN(C(=O)CO)CC1.CC(C)CN[C@@H]1CCN(C(=O)C2CC2)C1.CC(C)CN[C@@H]1CCN(CC(=O)O)C1.CC(C)CN[C@@H]1CCN(CCO)C1.CC(C)CN[C@@H]1CCN(S(C)(=O)=O)C1.COC1CCN(CC(C)C)CC1
InChIInChI=1S/C13H23NO.C12H22N2O.2C11H22N2O2.3C10H20N2O2.C10H20N2O.C10H22N2O.C10H21NO2.C10H21NO.C9H20N2O2S.C9H18O.C8H16O.C6H12O.C5H12O2.C4H10/c1-10(2)8-14-6-5-11(9-14)7-13(15)12-3-4-12;1-9(2)7-13-11-5-6-14(8-11)12(15)10-3-4-10;1-9(2)7-12-10-3-5-13(6-4-10)11(15)8-14;1-9(2)7-13-5-3-4-10(13)6-12-11(15)8-14;1-8(2)7-12-5-3-9(4-6-12)11-10(13)14;1-8(2)6-12(10(14)7-13)9-3-4-11-5-9;1-8(2)5-11-9-3-4-12(6-9)7-10(13)14;1-8(2)6-11-10-4-5-12(7-10)9(3)13;1-9(2)7-11-10-3-4-12(8-10)5-6-13;1-9(2)7-11(4-5-12)10-3-6-13-8-10;1-9(2)8-11-6-4-10(12-3)5-7-11;1-8(2)6-10-9-4-5-11(7-9)14(3,12)13;1-8(2)7-9-3-5-10-6-4-9;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-4-6;1-4(2)5(7)3-6;1-4(2)3/h10-12H,3-9H2,1-2H3;9-11,13H,3-8H2,1-2H3;9-10,12,14H,3-8H2,1-2H3;9-10,14H,3-8H2,1-2H3,(H,12,15);8-9,11H,3-7H2,1-2H3,(H,13,14);8-9,11,13H,3-7H2,1-2H3;8-9,11H,3-7H2,1-2H3,(H,13,14);8,10-11H,4-7H2,1-3H3;9-11,13H,3-8H2,1-2H3;9-10,12H,3-8H2,1-2H3;9-10H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3;4-7H,3H2,1-2H3;4H,1-3H3/t2*11-;;10-;;2*9-;3*10-;;9-;;;;;/m01.0.11110.1...../s1
InChIKeyAMNUAYXPTIYPIA-BBYSGORRSA-N
XLogP16.97
TPSA546.07 Ų
H-Bond Donors18
H-Bond Acceptors36
Rotatable Bonds56
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002931.50
LogP ≤ 516.97
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1036

Analyze cyclopropyl-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]methanone;1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone;2-hydroxy-1-[4-(2-methylpropylamino)piperidin-1-yl]ethanone;2-hydroxy-N-(2-methylpropyl)-N-[(3R)-pyrrolidin-3-yl]acetamide;2-hydroxy-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]acetamide;4-methoxy-1-(2-methylpropyl)piperidine;3-methylbutane-1,2-diol;2-methylpropane;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]acetic acid;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanol;1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone;(3R)-N-(2-methylpropyl)-1-methylsulfonylpyrrolidin-3-amine;4-(2-methylpropyl)oxane;2-[2-methylpropyl-[(3S)-oxolan-3-yl]amino]ethanol;[1-(2-methylpropyl)piperidin-4-yl]carbamic acid;4-propan-2-yloxane;3-propan-2-yloxetane with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]methanone;1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone;2-hydroxy-1-[4-(2-methylpropylamino)piperidin-1-yl]ethanone;2-hydroxy-N-(2-methylpropyl)-N-[(3R)-pyrrolidin-3-yl]acetamide;2-hydroxy-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]acetamide;4-methoxy-1-(2-methylpropyl)piperidine;3-methylbutane-1,2-diol;2-methylpropane;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]acetic acid;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanol;1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone;(3R)-N-(2-methylpropyl)-1-methylsulfonylpyrrolidin-3-amine;4-(2-methylpropyl)oxane;2-[2-methylpropyl-[(3S)-oxolan-3-yl]amino]ethanol;[1-(2-methylpropyl)piperidin-4-yl]carbamic acid;4-propan-2-yloxane;3-propan-2-yloxetane?
The IUPAC name of cyclopropyl-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]methanone;1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone;2-hydroxy-1-[4-(2-methylpropylamino)piperidin-1-yl]ethanone;2-hydroxy-N-(2-methylpropyl)-N-[(3R)-pyrrolidin-3-yl]acetamide;2-hydroxy-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]acetamide;4-methoxy-1-(2-methylpropyl)piperidine;3-methylbutane-1,2-diol;2-methylpropane;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]acetic acid;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanol;1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone;(3R)-N-(2-methylpropyl)-1-methylsulfonylpyrrolidin-3-amine;4-(2-methylpropyl)oxane;2-[2-methylpropyl-[(3S)-oxolan-3-yl]amino]ethanol;[1-(2-methylpropyl)piperidin-4-yl]carbamic acid;4-propan-2-yloxane;3-propan-2-yloxetane (CID 167535395) is cyclopropyl-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]methanone;1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone;2-hydroxy-1-[4-(2-methylpropylamino)piperidin-1-yl]ethanone;2-hydroxy-N-(2-methylpropyl)-N-[(3R)-pyrrolidin-3-yl]acetamide;2-hydroxy-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]acetamide;4-methoxy-1-(2-methylpropyl)piperidine;3-methylbutane-1,2-diol;2-methylpropane;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]acetic acid;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanol;1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone;(3R)-N-(2-methylpropyl)-1-methylsulfonylpyrrolidin-3-amine;4-(2-methylpropyl)oxane;2-[2-methylpropyl-[(3S)-oxolan-3-yl]amino]ethanol;[1-(2-methylpropyl)piperidin-4-yl]carbamic acid;4-propan-2-yloxane;3-propan-2-yloxetane.
What is the SMILES notation for cyclopropyl-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]methanone;1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone;2-hydroxy-1-[4-(2-methylpropylamino)piperidin-1-yl]ethanone;2-hydroxy-N-(2-methylpropyl)-N-[(3R)-pyrrolidin-3-yl]acetamide;2-hydroxy-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]acetamide;4-methoxy-1-(2-methylpropyl)piperidine;3-methylbutane-1,2-diol;2-methylpropane;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]acetic acid;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanol;1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone;(3R)-N-(2-methylpropyl)-1-methylsulfonylpyrrolidin-3-amine;4-(2-methylpropyl)oxane;2-[2-methylpropyl-[(3S)-oxolan-3-yl]amino]ethanol;[1-(2-methylpropyl)piperidin-4-yl]carbamic acid;4-propan-2-yloxane;3-propan-2-yloxetane?
The canonical SMILES for cyclopropyl-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]methanone;1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone;2-hydroxy-1-[4-(2-methylpropylamino)piperidin-1-yl]ethanone;2-hydroxy-N-(2-methylpropyl)-N-[(3R)-pyrrolidin-3-yl]acetamide;2-hydroxy-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]acetamide;4-methoxy-1-(2-methylpropyl)piperidine;3-methylbutane-1,2-diol;2-methylpropane;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]acetic acid;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanol;1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone;(3R)-N-(2-methylpropyl)-1-methylsulfonylpyrrolidin-3-amine;4-(2-methylpropyl)oxane;2-[2-methylpropyl-[(3S)-oxolan-3-yl]amino]ethanol;[1-(2-methylpropyl)piperidin-4-yl]carbamic acid;4-propan-2-yloxane;3-propan-2-yloxetane is CC(=O)N1CC[C@@H](NCC(C)C)C1.CC(C)C.CC(C)C(O)CO.CC(C)C1CCOCC1.CC(C)C1COC1.CC(C)CC1CCOCC1.CC(C)CN(C(=O)CO)[C@@H]1CCNC1.CC(C)CN(CCO)[C@H]1CCOC1.CC(C)CN1CCC(NC(=O)O)CC1.CC(C)CN1CCC[C@H]1CNC(=O)CO.CC(C)CN1CC[C@@H](CC(=O)C2CC2)C1.CC(C)CNC1CCN(C(=O)CO)CC1.CC(C)CN[C@@H]1CCN(C(=O)C2CC2)C1.CC(C)CN[C@@H]1CCN(CC(=O)O)C1.CC(C)CN[C@@H]1CCN(CCO)C1.CC(C)CN[C@@H]1CCN(S(C)(=O)=O)C1.COC1CCN(CC(C)C)CC1.
What is the InChIKey of cyclopropyl-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]methanone;1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone;2-hydroxy-1-[4-(2-methylpropylamino)piperidin-1-yl]ethanone;2-hydroxy-N-(2-methylpropyl)-N-[(3R)-pyrrolidin-3-yl]acetamide;2-hydroxy-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]acetamide;4-methoxy-1-(2-methylpropyl)piperidine;3-methylbutane-1,2-diol;2-methylpropane;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]acetic acid;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanol;1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone;(3R)-N-(2-methylpropyl)-1-methylsulfonylpyrrolidin-3-amine;4-(2-methylpropyl)oxane;2-[2-methylpropyl-[(3S)-oxolan-3-yl]amino]ethanol;[1-(2-methylpropyl)piperidin-4-yl]carbamic acid;4-propan-2-yloxane;3-propan-2-yloxetane?
The InChIKey is AMNUAYXPTIYPIA-BBYSGORRSA-N. The full InChI is InChI=1S/C13H23NO.C12H22N2O.2C11H22N2O2.3C10H20N2O2.C10H20N2O.C10H22N2O.C10H21NO2.C10H21NO.C9H20N2O2S.C9H18O.C8H16O.C6H12O.C5H12O2.C4H10/c1-10(2)8-14-6-5-11(9-14)7-13(15)12-3-4-12;1-9(2)7-13-11-5-6-14(8-11)12(15)10-3-4-10;1-9(2)7-12-10-3-5-13(6-4-10)11(15)8-14;1-9(2)7-13-5-3-4-10(13)6-12-11(15)8-14;1-8(2)7-12-5-3-9(4-6-12)11-10(13)14;1-8(2)6-12(10(14)7-13)9-3-4-11-5-9;1-8(2)5-11-9-3-4-12(6-9)7-10(13)14;1-8(2)6-11-10-4-5-12(7-10)9(3)13;1-9(2)7-11-10-3-4-12(8-10)5-6-13;1-9(2)7-11(4-5-12)10-3-6-13-8-10;1-9(2)8-11-6-4-10(12-3)5-7-11;1-8(2)6-10-9-4-5-11(7-9)14(3,12)13;1-8(2)7-9-3-5-10-6-4-9;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-4-6;1-4(2)5(7)3-6;1-4(2)3/h10-12H,3-9H2,1-2H3;9-11,13H,3-8H2,1-2H3;9-10,12,14H,3-8H2,1-2H3;9-10,14H,3-8H2,1-2H3,(H,12,15);8-9,11H,3-7H2,1-2H3,(H,13,14);8-9,11,13H,3-7H2,1-2H3;8-9,11H,3-7H2,1-2H3,(H,13,14);8,10-11H,4-7H2,1-3H3;9-11,13H,3-8H2,1-2H3;9-10,12H,3-8H2,1-2H3;9-10H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3;4-7H,3H2,1-2H3;4H,1-3H3/t2*11-;;10-;;2*9-;3*10-;;9-;;;;;/m01.0.11110.1...../s1.
What are the key properties of cyclopropyl-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]methanone;1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone;2-hydroxy-1-[4-(2-methylpropylamino)piperidin-1-yl]ethanone;2-hydroxy-N-(2-methylpropyl)-N-[(3R)-pyrrolidin-3-yl]acetamide;2-hydroxy-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]acetamide;4-methoxy-1-(2-methylpropyl)piperidine;3-methylbutane-1,2-diol;2-methylpropane;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]acetic acid;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanol;1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone;(3R)-N-(2-methylpropyl)-1-methylsulfonylpyrrolidin-3-amine;4-(2-methylpropyl)oxane;2-[2-methylpropyl-[(3S)-oxolan-3-yl]amino]ethanol;[1-(2-methylpropyl)piperidin-4-yl]carbamic acid;4-propan-2-yloxane;3-propan-2-yloxetane?
cyclopropyl-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]methanone;1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone;2-hydroxy-1-[4-(2-methylpropylamino)piperidin-1-yl]ethanone;2-hydroxy-N-(2-methylpropyl)-N-[(3R)-pyrrolidin-3-yl]acetamide;2-hydroxy-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]acetamide;4-methoxy-1-(2-methylpropyl)piperidine;3-methylbutane-1,2-diol;2-methylpropane;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]acetic acid;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanol;1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone;(3R)-N-(2-methylpropyl)-1-methylsulfonylpyrrolidin-3-amine;4-(2-methylpropyl)oxane;2-[2-methylpropyl-[(3S)-oxolan-3-yl]amino]ethanol;[1-(2-methylpropyl)piperidin-4-yl]carbamic acid;4-propan-2-yloxane;3-propan-2-yloxetane has a molecular weight of 2931.50 g/mol, XLogP of 16.97, 56 rotatable bonds, 18 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]methanone;1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone;2-hydroxy-1-[4-(2-methylpropylamino)piperidin-1-yl]ethanone;2-hydroxy-N-(2-methylpropyl)-N-[(3R)-pyrrolidin-3-yl]acetamide;2-hydroxy-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]acetamide;4-methoxy-1-(2-methylpropyl)piperidine;3-methylbutane-1,2-diol;2-methylpropane;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]acetic acid;2-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanol;1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone;(3R)-N-(2-methylpropyl)-1-methylsulfonylpyrrolidin-3-amine;4-(2-methylpropyl)oxane;2-[2-methylpropyl-[(3S)-oxolan-3-yl]amino]ethanol;[1-(2-methylpropyl)piperidin-4-yl]carbamic acid;4-propan-2-yloxane;3-propan-2-yloxetane is sourced from PubChem (CID 167535395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).