tert-butyl (3R)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;1-cyclobutylsulfonyl-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;(3S)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;(3R)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-1-propan-2-ylsulfonylpyrrolidine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide;1-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one

C170H307N17O19S2 — CID 165106627

IUPACtert-butyl (3R)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;1-cyclobutylsulfonyl-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;(3S)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;(3R)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-1-propan-2-ylsulfonylpyrrolidine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide;1-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
SMILESCC(C)(C)CC1CCN(C(N)=O)C1.CC(C)(C)CC1CCN(S(=O)(=O)C2CCC2)C1.CC(C)(C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1.CC(C)(C)C[C@@H]1CCNC1.CC(C)(C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1.CC(C)(C)C[C@H]1CCNC1.CC(C)S(=O)(=O)N1CCC(CC(C)(C)C)C1.CNC(=O)N1CCC(CC(C)(C)C)C1.COCCN(Cc1ccc(OC)cc1)C(=O)N1CCC(CC(C)(C)C)C1.COc1ccc(CCC(=O)N2CCC(CC(C)(C)C)C2)cc1.COc1ccc(CN(C)C(=O)N2CC[C@@H](CC(C)(C)C)C2)cc1.COc1ccc(CN(C)C(=O)N2CC[C@H](CC(C)(C)C)C2)cc1
InChIInChI=1S/C21H34N2O3.2C19H30N2O2.C19H29NO2.2C14H27NO2.C13H25NO2S.C12H25NO2S.C11H22N2O.C10H20N2O.2C9H19N/c1-21(2,3)14-18-10-11-22(16-18)20(24)23(12-13-25-4)15-17-6-8-19(26-5)9-7-17;2*1-19(2,3)12-16-10-11-21(14-16)18(22)20(4)13-15-6-8-17(23-5)9-7-15;1-19(2,3)13-16-11-12-20(14-16)18(21)10-7-15-5-8-17(22-4)9-6-15;2*1-13(2,3)9-11-7-8-15(10-11)12(16)17-14(4,5)6;1-13(2,3)9-11-7-8-14(10-11)17(15,16)12-5-4-6-12;1-10(2)16(14,15)13-7-6-11(9-13)8-12(3,4)5;1-11(2,3)7-9-5-6-13(8-9)10(14)12-4;1-10(2,3)6-8-4-5-12(7-8)9(11)13;2*1-9(2,3)6-8-4-5-10-7-8/h6-9,18H,10-16H2,1-5H3;2*6-9,16H,10-14H2,1-5H3;5-6,8-9,16H,7,10-14H2,1-4H3;2*11H,7-10H2,1-6H3;11-12H,4-10H2,1-3H3;10-11H,6-9H2,1-5H3;9H,5-8H2,1-4H3,(H,12,14);8H,4-7H2,1-3H3,(H2,11,13);2*8,10H,4-7H2,1-3H3/t;2*16-;;2*11-;;;;;2*8-/m.10.10....10/s1
InChIKeyZFZZNGGWKXSSOL-PEKCWQQLSA-N
MW2957.56 g/mol
LogP36.38
Rot. Bonds32

About tert-butyl (3R)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;1-cyclobutylsulfonyl-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;(3S)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;(3R)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-1-propan-2-ylsulfonylpyrrolidine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide;1-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one

tert-butyl (3R)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;1-cyclobutylsulfonyl-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;(3S)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;(3R)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-1-propan-2-ylsulfonylpyrrolidine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide;1-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one (PubChem CID 165106627) has the molecular formula C170H307N17O19S2 and a molecular weight of 2957.56 g/mol. Its IUPAC name is tert-butyl (3R)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;1-cyclobutylsulfonyl-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;(3S)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;(3R)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-1-propan-2-ylsulfonylpyrrolidine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide;1-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Nametert-butyl (3R)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;1-cyclobutylsulfonyl-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;(3S)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;(3R)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-1-propan-2-ylsulfonylpyrrolidine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide;1-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
PubChem CID165106627
Molecular FormulaC170H307N17O19S2
Molecular Weight2957.56 g/mol
Exact Mass2955.30
IUPAC Nametert-butyl (3R)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;1-cyclobutylsulfonyl-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;(3S)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;(3R)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-1-propan-2-ylsulfonylpyrrolidine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide;1-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
SMILESCC(C)(C)CC1CCN(C(N)=O)C1.CC(C)(C)CC1CCN(S(=O)(=O)C2CCC2)C1.CC(C)(C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1.CC(C)(C)C[C@@H]1CCNC1.CC(C)(C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1.CC(C)(C)C[C@H]1CCNC1.CC(C)S(=O)(=O)N1CCC(CC(C)(C)C)C1.CNC(=O)N1CCC(CC(C)(C)C)C1.COCCN(Cc1ccc(OC)cc1)C(=O)N1CCC(CC(C)(C)C)C1.COc1ccc(CCC(=O)N2CCC(CC(C)(C)C)C2)cc1.COc1ccc(CN(C)C(=O)N2CC[C@@H](CC(C)(C)C)C2)cc1.COc1ccc(CN(C)C(=O)N2CC[C@H](CC(C)(C)C)C2)cc1
InChIInChI=1S/C21H34N2O3.2C19H30N2O2.C19H29NO2.2C14H27NO2.C13H25NO2S.C12H25NO2S.C11H22N2O.C10H20N2O.2C9H19N/c1-21(2,3)14-18-10-11-22(16-18)20(24)23(12-13-25-4)15-17-6-8-19(26-5)9-7-17;2*1-19(2,3)12-16-10-11-21(14-16)18(22)20(4)13-15-6-8-17(23-5)9-7-15;1-19(2,3)13-16-11-12-20(14-16)18(21)10-7-15-5-8-17(22-4)9-6-15;2*1-13(2,3)9-11-7-8-15(10-11)12(16)17-14(4,5)6;1-13(2,3)9-11-7-8-14(10-11)17(15,16)12-5-4-6-12;1-10(2)16(14,15)13-7-6-11(9-13)8-12(3,4)5;1-11(2,3)7-9-5-6-13(8-9)10(14)12-4;1-10(2,3)6-8-4-5-12(7-8)9(11)13;2*1-9(2,3)6-8-4-5-10-7-8/h6-9,18H,10-16H2,1-5H3;2*6-9,16H,10-14H2,1-5H3;5-6,8-9,16H,7,10-14H2,1-4H3;2*11H,7-10H2,1-6H3;11-12H,4-10H2,1-3H3;10-11H,6-9H2,1-5H3;9H,5-8H2,1-4H3,(H,12,14);8H,4-7H2,1-3H3,(H2,11,13);2*8,10H,4-7H2,1-3H3/t;2*16-;;2*11-;;;;;2*8-/m.10.10....10/s1
InChIKeyZFZZNGGWKXSSOL-PEKCWQQLSA-N
XLogP36.38
TPSA373.68 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds32
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002957.56
LogP ≤ 536.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze tert-butyl (3R)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;1-cyclobutylsulfonyl-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;(3S)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;(3R)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-1-propan-2-ylsulfonylpyrrolidine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide;1-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one with MolForge

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Related Compounds

(3S)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide
CID 164956664
1-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 119934448
(2S)-2-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 131891978
3-(4-methoxyphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119754727
1-[(6R)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 95815424
3-(4-methoxyphenyl)-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one
CID 71805517
tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 51124373
1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 62917256
tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate
CID 164775419
6-(4-methoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]hexan-1-one
CID 119544131
tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;tert-butyl pyrrolidine-1-carboxylate;(1R)-1-(3-methoxyphenyl)ethanamine;(3R)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine;1-methoxy-3-propan-2-ylbenzene
CID 161382115
(2R)-4-(4-methoxyphenyl)-2-[[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]methyl]butanoic acid
CID 70110646

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;1-cyclobutylsulfonyl-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;(3S)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;(3R)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-1-propan-2-ylsulfonylpyrrolidine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide;1-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of tert-butyl (3R)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;1-cyclobutylsulfonyl-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;(3S)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;(3R)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-1-propan-2-ylsulfonylpyrrolidine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide;1-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one (CID 165106627) is tert-butyl (3R)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;1-cyclobutylsulfonyl-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;(3S)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;(3R)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-1-propan-2-ylsulfonylpyrrolidine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide;1-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for tert-butyl (3R)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;1-cyclobutylsulfonyl-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;(3S)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;(3R)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-1-propan-2-ylsulfonylpyrrolidine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide;1-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for tert-butyl (3R)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;1-cyclobutylsulfonyl-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;(3S)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;(3R)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-1-propan-2-ylsulfonylpyrrolidine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide;1-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one is CC(C)(C)CC1CCN(C(N)=O)C1.CC(C)(C)CC1CCN(S(=O)(=O)C2CCC2)C1.CC(C)(C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1.CC(C)(C)C[C@@H]1CCNC1.CC(C)(C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1.CC(C)(C)C[C@H]1CCNC1.CC(C)S(=O)(=O)N1CCC(CC(C)(C)C)C1.CNC(=O)N1CCC(CC(C)(C)C)C1.COCCN(Cc1ccc(OC)cc1)C(=O)N1CCC(CC(C)(C)C)C1.COc1ccc(CCC(=O)N2CCC(CC(C)(C)C)C2)cc1.COc1ccc(CN(C)C(=O)N2CC[C@@H](CC(C)(C)C)C2)cc1.COc1ccc(CN(C)C(=O)N2CC[C@H](CC(C)(C)C)C2)cc1.
What is the InChIKey of tert-butyl (3R)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;1-cyclobutylsulfonyl-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;(3S)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;(3R)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-1-propan-2-ylsulfonylpyrrolidine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide;1-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is ZFZZNGGWKXSSOL-PEKCWQQLSA-N. The full InChI is InChI=1S/C21H34N2O3.2C19H30N2O2.C19H29NO2.2C14H27NO2.C13H25NO2S.C12H25NO2S.C11H22N2O.C10H20N2O.2C9H19N/c1-21(2,3)14-18-10-11-22(16-18)20(24)23(12-13-25-4)15-17-6-8-19(26-5)9-7-17;2*1-19(2,3)12-16-10-11-21(14-16)18(22)20(4)13-15-6-8-17(23-5)9-7-15;1-19(2,3)13-16-11-12-20(14-16)18(21)10-7-15-5-8-17(22-4)9-6-15;2*1-13(2,3)9-11-7-8-15(10-11)12(16)17-14(4,5)6;1-13(2,3)9-11-7-8-14(10-11)17(15,16)12-5-4-6-12;1-10(2)16(14,15)13-7-6-11(9-13)8-12(3,4)5;1-11(2,3)7-9-5-6-13(8-9)10(14)12-4;1-10(2,3)6-8-4-5-12(7-8)9(11)13;2*1-9(2,3)6-8-4-5-10-7-8/h6-9,18H,10-16H2,1-5H3;2*6-9,16H,10-14H2,1-5H3;5-6,8-9,16H,7,10-14H2,1-4H3;2*11H,7-10H2,1-6H3;11-12H,4-10H2,1-3H3;10-11H,6-9H2,1-5H3;9H,5-8H2,1-4H3,(H,12,14);8H,4-7H2,1-3H3,(H2,11,13);2*8,10H,4-7H2,1-3H3/t;2*16-;;2*11-;;;;;2*8-/m.10.10....10/s1.
What are the key properties of tert-butyl (3R)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;1-cyclobutylsulfonyl-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;(3S)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;(3R)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-1-propan-2-ylsulfonylpyrrolidine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide;1-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one?
tert-butyl (3R)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;1-cyclobutylsulfonyl-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;(3S)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;(3R)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-1-propan-2-ylsulfonylpyrrolidine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide;1-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 2957.56 g/mol, XLogP of 36.38, 32 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate;1-cyclobutylsulfonyl-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;(3S)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;(3R)-3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-N-methylpyrrolidine-1-carboxamide;3-(2,2-dimethylpropyl)-1-propan-2-ylsulfonylpyrrolidine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide;1-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 165106627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).