(2R)-2-[(3S,4S)-3-[[4-(1-benzyl-3-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[1-[(4-ethoxyphenyl)methyl]pyrazol-4-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R,3S)-2-[(3S,4S)-3-[[4-[1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid

C107H143F3N12O8 — CID 91376132

IUPAC(2R)-2-[(3S,4S)-3-[[4-(1-benzyl-3-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[1-[(4-ethoxyphenyl)methyl]pyrazol-4-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R,3S)-2-[(3S,4S)-3-[[4-[1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid
SMILESCCOc1ccc(Cn2cc(C3CCN(C[C@H]4CN([C@H](CC5CCC5)C(=O)O)C[C@@H]4c4cccc(C)c4)CC3)cn2)cc1.CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(C)c2)C1.CCc1nn(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(C)c2)CC1
InChIInChI=1S/C36H47F3N4O3.C36H48N4O3.C35H48N4O2/c1-5-25(4)34(35(44)45)42-22-29(32(23-42)28-9-7-8-24(3)18-28)21-41-16-14-27(15-17-41)33-20-30(40-43(33)6-2)19-26-10-12-31(13-11-26)46-36(37,38)39;1-3-43-33-12-10-28(11-13-33)21-40-24-31(20-37-40)29-14-16-38(17-15-29)22-32-23-39(35(36(41)42)19-27-7-5-8-27)25-34(32)30-9-4-6-26(2)18-30;1-6-32-31(24-39(36-32)20-26-12-8-7-9-13-26)27-15-17-37(18-16-27)21-29-22-38(33(34(40)41)35(3,4)5)23-30(29)28-14-10-11-25(2)19-28/h7-13,18,20,25,27,29,32,34H,5-6,14-17,19,21-23H2,1-4H3,(H,44,45);4,6,9-13,18,20,24,27,29,32,34-35H,3,5,7-8,14-17,19,21-23,25H2,1-2H3,(H,41,42);7-14,19,24,27,29-30,33H,6,15-18,20-23H2,1-5H3,(H,40,41)/t25-,29-,32+,34+;32-,34+,35+;29-,30+,33-/m000/s1
InChIKeyUNDRBXJFLDOZHD-CEXFCSCNSA-N
MW1782.39 g/mol
LogP19.47
Rot. Bonds33

About (2R)-2-[(3S,4S)-3-[[4-(1-benzyl-3-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[1-[(4-ethoxyphenyl)methyl]pyrazol-4-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R,3S)-2-[(3S,4S)-3-[[4-[1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid

(2R)-2-[(3S,4S)-3-[[4-(1-benzyl-3-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[1-[(4-ethoxyphenyl)methyl]pyrazol-4-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R,3S)-2-[(3S,4S)-3-[[4-[1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid (PubChem CID 91376132) has the molecular formula C107H143F3N12O8 and a molecular weight of 1782.39 g/mol. Its IUPAC name is (2R)-2-[(3S,4S)-3-[[4-(1-benzyl-3-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[1-[(4-ethoxyphenyl)methyl]pyrazol-4-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R,3S)-2-[(3S,4S)-3-[[4-[1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3S,4S)-3-[[4-(1-benzyl-3-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[1-[(4-ethoxyphenyl)methyl]pyrazol-4-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R,3S)-2-[(3S,4S)-3-[[4-[1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid
PubChem CID91376132
Molecular FormulaC107H143F3N12O8
Molecular Weight1782.39 g/mol
Exact Mass1781.11
IUPAC Name(2R)-2-[(3S,4S)-3-[[4-(1-benzyl-3-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[1-[(4-ethoxyphenyl)methyl]pyrazol-4-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R,3S)-2-[(3S,4S)-3-[[4-[1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid
SMILESCCOc1ccc(Cn2cc(C3CCN(C[C@H]4CN([C@H](CC5CCC5)C(=O)O)C[C@@H]4c4cccc(C)c4)CC3)cn2)cc1.CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(C)c2)C1.CCc1nn(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(C)c2)CC1
InChIInChI=1S/C36H47F3N4O3.C36H48N4O3.C35H48N4O2/c1-5-25(4)34(35(44)45)42-22-29(32(23-42)28-9-7-8-24(3)18-28)21-41-16-14-27(15-17-41)33-20-30(40-43(33)6-2)19-26-10-12-31(13-11-26)46-36(37,38)39;1-3-43-33-12-10-28(11-13-33)21-40-24-31(20-37-40)29-14-16-38(17-15-29)22-32-23-39(35(36(41)42)19-27-7-5-8-27)25-34(32)30-9-4-6-26(2)18-30;1-6-32-31(24-39(36-32)20-26-12-8-7-9-13-26)27-15-17-37(18-16-27)21-29-22-38(33(34(40)41)35(3,4)5)23-30(29)28-14-10-11-25(2)19-28/h7-13,18,20,25,27,29,32,34H,5-6,14-17,19,21-23H2,1-4H3,(H,44,45);4,6,9-13,18,20,24,27,29,32,34-35H,3,5,7-8,14-17,19,21-23,25H2,1-2H3,(H,41,42);7-14,19,24,27,29-30,33H,6,15-18,20-23H2,1-5H3,(H,40,41)/t25-,29-,32+,34+;32-,34+,35+;29-,30+,33-/m000/s1
InChIKeyUNDRBXJFLDOZHD-CEXFCSCNSA-N
XLogP19.47
TPSA203.26 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds33
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001782.39
LogP ≤ 519.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze (2R)-2-[(3S,4S)-3-[[4-(1-benzyl-3-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[1-[(4-ethoxyphenyl)methyl]pyrazol-4-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R,3S)-2-[(3S,4S)-3-[[4-[1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid with MolForge

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Related Compounds

(2R,3S)-2-[(3S,4S)-3-[[4-[3-(1,3-benzodioxol-5-ylmethyl)-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid;(2R,3S)-2-[(3S,4S)-3-[[4-[3-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid;(2R)-2-[(3S,4S)-3-[[4-[1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-2,3-dimethylpentanoic acid
CID 90750622
(2R)-2-[(3S,4S)-3-[[4-(1-benzyl-3,5-dimethylpyrazol-4-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[(4-tert-butylphenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[1-[(4-ethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-2-[(3S,4S)-3-[[4-[1-[(4-cyclobutyloxyphenyl)methyl]-3-ethylpyrazol-4-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R,3R)-2-[(3S,4S)-3-[[4-[1-ethyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid
CID 157753589
(2R)-2-[(3S,4S)-3-[[4-(1-benzyl-3,5-dimethylpyrazol-4-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[(4-tert-butylphenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[1-[(4-ethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-2-[(3S,4S)-3-[[4-[4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R,3R)-2-[(3S,4S)-3-[[4-[1-ethyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid
CID 161056703
CID 161977726
CID 161977726
(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-ethyl-1-[(4-methylsulfonylphenyl)methyl]pyrazol-4-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R,3S)-2-[(3S,4S)-3-[[4-[3-[(4-cyclopropyloxyphenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid
CID 91582778
(2R)-2-[(3S,4S)-3-[[4-[3-[(4-butoxyphenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-ethyl-3-[(4-hydroxyphenyl)methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]acetic acid;(2R)-2-[(3S,4S)-3-[[4-[3-ethyl-1-[(4-methylsulfonylphenyl)methyl]pyrazol-4-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-2-[(3S,4S)-3-[[4-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-2-[(3S,4S)-3-[[4-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylbutanoic acid
CID 158564148

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S,4S)-3-[[4-(1-benzyl-3-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[1-[(4-ethoxyphenyl)methyl]pyrazol-4-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R,3S)-2-[(3S,4S)-3-[[4-[1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid?
The IUPAC name of (2R)-2-[(3S,4S)-3-[[4-(1-benzyl-3-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[1-[(4-ethoxyphenyl)methyl]pyrazol-4-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R,3S)-2-[(3S,4S)-3-[[4-[1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid (CID 91376132) is (2R)-2-[(3S,4S)-3-[[4-(1-benzyl-3-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[1-[(4-ethoxyphenyl)methyl]pyrazol-4-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R,3S)-2-[(3S,4S)-3-[[4-[1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(3S,4S)-3-[[4-(1-benzyl-3-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[1-[(4-ethoxyphenyl)methyl]pyrazol-4-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R,3S)-2-[(3S,4S)-3-[[4-[1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(3S,4S)-3-[[4-(1-benzyl-3-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[1-[(4-ethoxyphenyl)methyl]pyrazol-4-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R,3S)-2-[(3S,4S)-3-[[4-[1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid is CCOc1ccc(Cn2cc(C3CCN(C[C@H]4CN([C@H](CC5CCC5)C(=O)O)C[C@@H]4c4cccc(C)c4)CC3)cn2)cc1.CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(C)c2)C1.CCc1nn(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(C)c2)CC1.
What is the InChIKey of (2R)-2-[(3S,4S)-3-[[4-(1-benzyl-3-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[1-[(4-ethoxyphenyl)methyl]pyrazol-4-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R,3S)-2-[(3S,4S)-3-[[4-[1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid?
The InChIKey is UNDRBXJFLDOZHD-CEXFCSCNSA-N. The full InChI is InChI=1S/C36H47F3N4O3.C36H48N4O3.C35H48N4O2/c1-5-25(4)34(35(44)45)42-22-29(32(23-42)28-9-7-8-24(3)18-28)21-41-16-14-27(15-17-41)33-20-30(40-43(33)6-2)19-26-10-12-31(13-11-26)46-36(37,38)39;1-3-43-33-12-10-28(11-13-33)21-40-24-31(20-37-40)29-14-16-38(17-15-29)22-32-23-39(35(36(41)42)19-27-7-5-8-27)25-34(32)30-9-4-6-26(2)18-30;1-6-32-31(24-39(36-32)20-26-12-8-7-9-13-26)27-15-17-37(18-16-27)21-29-22-38(33(34(40)41)35(3,4)5)23-30(29)28-14-10-11-25(2)19-28/h7-13,18,20,25,27,29,32,34H,5-6,14-17,19,21-23H2,1-4H3,(H,44,45);4,6,9-13,18,20,24,27,29,32,34-35H,3,5,7-8,14-17,19,21-23,25H2,1-2H3,(H,41,42);7-14,19,24,27,29-30,33H,6,15-18,20-23H2,1-5H3,(H,40,41)/t25-,29-,32+,34+;32-,34+,35+;29-,30+,33-/m000/s1.
What are the key properties of (2R)-2-[(3S,4S)-3-[[4-(1-benzyl-3-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[1-[(4-ethoxyphenyl)methyl]pyrazol-4-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R,3S)-2-[(3S,4S)-3-[[4-[1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid?
(2R)-2-[(3S,4S)-3-[[4-(1-benzyl-3-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[1-[(4-ethoxyphenyl)methyl]pyrazol-4-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R,3S)-2-[(3S,4S)-3-[[4-[1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid has a molecular weight of 1782.39 g/mol, XLogP of 19.47, 33 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S,4S)-3-[[4-(1-benzyl-3-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[1-[(4-ethoxyphenyl)methyl]pyrazol-4-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R,3S)-2-[(3S,4S)-3-[[4-[1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-methylpentanoic acid is sourced from PubChem (CID 91376132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).