(2R)-3-cyclobutyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid

C156H197F18N13O11 — CID 91137970

IUPAC(2R)-3-cyclobutyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid
SMILESCc1cccc([C@H]2CN(C(CC3CC3)C(=O)O)C[C@@H]2CN2CCC(CCC(O)c3ccc(F)cc3)CC2)c1.Cc1cccc([C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@H]2CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)c1.O=C(O)C(CC1CC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cn3)CC2)[C@@H](c2cccc(F)c2)C1.O=C(O)[C@@H](CC1CC1)N1C[C@@H](CN2CCC(CCC(F)(F)c3ccc(C(F)(F)F)cn3)CC2)[C@@H](c2cccc(F)c2)C1.O=C(O)[C@@H](CC1CC1)N1C[C@@H](CN2CCC(CCC(F)(F)c3ccc(F)cn3)CC2)[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/C33H43F3N2O2.C32H43FN2O3.C31H37F6N3O2.2C30H37F4N3O2/c1-23-4-2-7-26(18-23)30-22-38(31(32(39)40)19-25-5-3-6-25)21-27(30)20-37-16-13-24(14-17-37)12-15-33(35,36)28-8-10-29(34)11-9-28;1-22-3-2-4-26(17-22)29-21-35(30(32(37)38)18-24-5-6-24)20-27(29)19-34-15-13-23(14-16-34)7-12-31(36)25-8-10-28(33)11-9-25;32-25-3-1-2-22(15-25)26-19-40(27(29(41)42)14-21-4-5-21)18-23(26)17-39-12-9-20(10-13-39)8-11-30(33,34)28-7-6-24(16-38-28)31(35,36)37;2*31-24-3-1-2-22(15-24)26-19-37(27(29(38)39)14-21-4-5-21)18-23(26)17-36-12-9-20(10-13-36)8-11-30(33,34)28-7-6-25(32)16-35-28/h2,4,7-11,18,24-25,27,30-31H,3,5-6,12-17,19-22H2,1H3,(H,39,40);2-4,8-11,17,23-24,27,29-31,36H,5-7,12-16,18-21H2,1H3,(H,37,38);1-3,6-7,15-16,20-21,23,26-27H,4-5,8-14,17-19H2,(H,41,42);2*1-3,6-7,15-16,20-21,23,26-27H,4-5,8-14,17-19H2,(H,38,39)/t27-,30-,31-;27-,29+,30?,31?;23-,26-,27-;23-,26+,27?;23-,26-,27-/m10101/s1
InChIKeyXZQCBADWYYIFDD-SASODTTISA-N
MW2772.34 g/mol
LogP31.32
Rot. Bonds55

About (2R)-3-cyclobutyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid

(2R)-3-cyclobutyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid (PubChem CID 91137970) has the molecular formula C156H197F18N13O11 and a molecular weight of 2772.34 g/mol. Its IUPAC name is (2R)-3-cyclobutyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-3-cyclobutyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid
PubChem CID91137970
Molecular FormulaC156H197F18N13O11
Molecular Weight2772.34 g/mol
Exact Mass2770.50
IUPAC Name(2R)-3-cyclobutyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid
SMILESCc1cccc([C@H]2CN(C(CC3CC3)C(=O)O)C[C@@H]2CN2CCC(CCC(O)c3ccc(F)cc3)CC2)c1.Cc1cccc([C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@H]2CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)c1.O=C(O)C(CC1CC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cn3)CC2)[C@@H](c2cccc(F)c2)C1.O=C(O)[C@@H](CC1CC1)N1C[C@@H](CN2CCC(CCC(F)(F)c3ccc(C(F)(F)F)cn3)CC2)[C@@H](c2cccc(F)c2)C1.O=C(O)[C@@H](CC1CC1)N1C[C@@H](CN2CCC(CCC(F)(F)c3ccc(F)cn3)CC2)[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/C33H43F3N2O2.C32H43FN2O3.C31H37F6N3O2.2C30H37F4N3O2/c1-23-4-2-7-26(18-23)30-22-38(31(32(39)40)19-25-5-3-6-25)21-27(30)20-37-16-13-24(14-17-37)12-15-33(35,36)28-8-10-29(34)11-9-28;1-22-3-2-4-26(17-22)29-21-35(30(32(37)38)18-24-5-6-24)20-27(29)19-34-15-13-23(14-16-34)7-12-31(36)25-8-10-28(33)11-9-25;32-25-3-1-2-22(15-25)26-19-40(27(29(41)42)14-21-4-5-21)18-23(26)17-39-12-9-20(10-13-39)8-11-30(33,34)28-7-6-24(16-38-28)31(35,36)37;2*31-24-3-1-2-22(15-24)26-19-37(27(29(38)39)14-21-4-5-21)18-23(26)17-36-12-9-20(10-13-36)8-11-30(33,34)28-7-6-25(32)16-35-28/h2,4,7-11,18,24-25,27,30-31H,3,5-6,12-17,19-22H2,1H3,(H,39,40);2-4,8-11,17,23-24,27,29-31,36H,5-7,12-16,18-21H2,1H3,(H,37,38);1-3,6-7,15-16,20-21,23,26-27H,4-5,8-14,17-19H2,(H,41,42);2*1-3,6-7,15-16,20-21,23,26-27H,4-5,8-14,17-19H2,(H,38,39)/t27-,30-,31-;27-,29+,30?,31?;23-,26-,27-;23-,26+,27?;23-,26-,27-/m10101/s1
InChIKeyXZQCBADWYYIFDD-SASODTTISA-N
XLogP31.32
TPSA277.80 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds55
Heavy Atoms198
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002772.34
LogP ≤ 531.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze (2R)-3-cyclobutyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclobutyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid?
The IUPAC name of (2R)-3-cyclobutyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid (CID 91137970) is (2R)-3-cyclobutyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for (2R)-3-cyclobutyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid?
The canonical SMILES for (2R)-3-cyclobutyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid is Cc1cccc([C@H]2CN(C(CC3CC3)C(=O)O)C[C@@H]2CN2CCC(CCC(O)c3ccc(F)cc3)CC2)c1.Cc1cccc([C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@H]2CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)c1.O=C(O)C(CC1CC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cn3)CC2)[C@@H](c2cccc(F)c2)C1.O=C(O)[C@@H](CC1CC1)N1C[C@@H](CN2CCC(CCC(F)(F)c3ccc(C(F)(F)F)cn3)CC2)[C@@H](c2cccc(F)c2)C1.O=C(O)[C@@H](CC1CC1)N1C[C@@H](CN2CCC(CCC(F)(F)c3ccc(F)cn3)CC2)[C@@H](c2cccc(F)c2)C1.
What is the InChIKey of (2R)-3-cyclobutyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid?
The InChIKey is XZQCBADWYYIFDD-SASODTTISA-N. The full InChI is InChI=1S/C33H43F3N2O2.C32H43FN2O3.C31H37F6N3O2.2C30H37F4N3O2/c1-23-4-2-7-26(18-23)30-22-38(31(32(39)40)19-25-5-3-6-25)21-27(30)20-37-16-13-24(14-17-37)12-15-33(35,36)28-8-10-29(34)11-9-28;1-22-3-2-4-26(17-22)29-21-35(30(32(37)38)18-24-5-6-24)20-27(29)19-34-15-13-23(14-16-34)7-12-31(36)25-8-10-28(33)11-9-25;32-25-3-1-2-22(15-25)26-19-40(27(29(41)42)14-21-4-5-21)18-23(26)17-39-12-9-20(10-13-39)8-11-30(33,34)28-7-6-24(16-38-28)31(35,36)37;2*31-24-3-1-2-22(15-24)26-19-37(27(29(38)39)14-21-4-5-21)18-23(26)17-36-12-9-20(10-13-36)8-11-30(33,34)28-7-6-25(32)16-35-28/h2,4,7-11,18,24-25,27,30-31H,3,5-6,12-17,19-22H2,1H3,(H,39,40);2-4,8-11,17,23-24,27,29-31,36H,5-7,12-16,18-21H2,1H3,(H,37,38);1-3,6-7,15-16,20-21,23,26-27H,4-5,8-14,17-19H2,(H,41,42);2*1-3,6-7,15-16,20-21,23,26-27H,4-5,8-14,17-19H2,(H,38,39)/t27-,30-,31-;27-,29+,30?,31?;23-,26-,27-;23-,26+,27?;23-,26-,27-/m10101/s1.
What are the key properties of (2R)-3-cyclobutyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid?
(2R)-3-cyclobutyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid has a molecular weight of 2772.34 g/mol, XLogP of 31.32, 55 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclobutyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3,3-difluoro-3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3R,4S)-3-[[4-[3,3-difluoro-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 91137970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).