(2R)-3-cyclobutyl-2-[(4S)-3-[[4-[ethyl-(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(5-fluoropyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(4-methoxypyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid

C122H170F5N19O9 — CID 158720393

IUPAC(2R)-3-cyclobutyl-2-[(4S)-3-[[4-[ethyl-(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(5-fluoropyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(4-methoxypyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid
SMILESCCCN(c1ccccn1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1.CCCN(c1ncc(F)cn1)C1CCN(CC2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1.CCCN(c1nccc(OC)n1)C1CCN(CC2CN(C(CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1.CCN(c1ncc(F)cn1)C1CCN(CC2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1
InChIInChI=1S/C32H46N4O2.C31H44FN5O3.C30H41F2N5O2.C29H39F2N5O2/c1-2-19-36(30-15-9-10-18-33-30)28-16-20-34(21-17-28)22-27-23-35(24-29(27)25-11-5-3-6-12-25)31(32(37)38)26-13-7-4-8-14-26;1-3-14-37(31-33-13-10-29(34-31)40-2)26-11-15-35(16-12-26)19-24-20-36(28(30(38)39)17-22-6-4-7-22)21-27(24)23-8-5-9-25(32)18-23;1-2-11-37(30-33-16-25(32)17-34-30)26-9-12-35(13-10-26)18-23-19-36(28(29(38)39)14-21-5-3-6-21)20-27(23)22-7-4-8-24(31)15-22;1-2-36(29-32-15-24(31)16-33-29)25-9-11-34(12-10-25)17-22-18-35(27(28(37)38)13-20-5-3-6-20)19-26(22)21-7-4-8-23(30)14-21/h3,5-6,9-12,15,18,26-29,31H,2,4,7-8,13-14,16-17,19-24H2,1H3,(H,37,38);5,8-10,13,18,22,24,26-28H,3-4,6-7,11-12,14-17,19-21H2,1-2H3,(H,38,39);4,7-8,15-17,21,23,26-28H,2-3,5-6,9-14,18-20H2,1H3,(H,38,39);4,7-8,14-16,20,22,25-27H,2-3,5-6,9-13,17-19H2,1H3,(H,37,38)/t27-,29+,31+;24?,27-,28?;23?,27-,28-;22?,26-,27-/m0111/s1
InChIKeyIJVOFUAKUHJNCD-AAMFZUSHSA-N
MW2141.82 g/mol
LogP19.37
Rot. Bonds43

About (2R)-3-cyclobutyl-2-[(4S)-3-[[4-[ethyl-(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(5-fluoropyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(4-methoxypyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid

(2R)-3-cyclobutyl-2-[(4S)-3-[[4-[ethyl-(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(5-fluoropyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(4-methoxypyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid (PubChem CID 158720393) has the molecular formula C122H170F5N19O9 and a molecular weight of 2141.82 g/mol. Its IUPAC name is (2R)-3-cyclobutyl-2-[(4S)-3-[[4-[ethyl-(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(5-fluoropyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(4-methoxypyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name(2R)-3-cyclobutyl-2-[(4S)-3-[[4-[ethyl-(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(5-fluoropyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(4-methoxypyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid
PubChem CID158720393
Molecular FormulaC122H170F5N19O9
Molecular Weight2141.82 g/mol
Exact Mass2140.33
IUPAC Name(2R)-3-cyclobutyl-2-[(4S)-3-[[4-[ethyl-(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(5-fluoropyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(4-methoxypyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid
SMILESCCCN(c1ccccn1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1.CCCN(c1ncc(F)cn1)C1CCN(CC2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1.CCCN(c1nccc(OC)n1)C1CCN(CC2CN(C(CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1.CCN(c1ncc(F)cn1)C1CCN(CC2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1
InChIInChI=1S/C32H46N4O2.C31H44FN5O3.C30H41F2N5O2.C29H39F2N5O2/c1-2-19-36(30-15-9-10-18-33-30)28-16-20-34(21-17-28)22-27-23-35(24-29(27)25-11-5-3-6-12-25)31(32(37)38)26-13-7-4-8-14-26;1-3-14-37(31-33-13-10-29(34-31)40-2)26-11-15-35(16-12-26)19-24-20-36(28(30(38)39)17-22-6-4-7-22)21-27(24)23-8-5-9-25(32)18-23;1-2-11-37(30-33-16-25(32)17-34-30)26-9-12-35(13-10-26)18-23-19-36(28(29(38)39)14-21-5-3-6-21)20-27(23)22-7-4-8-24(31)15-22;1-2-36(29-32-15-24(31)16-33-29)25-9-11-34(12-10-25)17-22-18-35(27(28(37)38)13-20-5-3-6-20)19-26(22)21-7-4-8-23(30)14-21/h3,5-6,9-12,15,18,26-29,31H,2,4,7-8,13-14,16-17,19-24H2,1H3,(H,37,38);5,8-10,13,18,22,24,26-28H,3-4,6-7,11-12,14-17,19-21H2,1-2H3,(H,38,39);4,7-8,15-17,21,23,26-28H,2-3,5-6,9-14,18-20H2,1H3,(H,38,39);4,7-8,14-16,20,22,25-27H,2-3,5-6,9-13,17-19H2,1H3,(H,37,38)/t27-,29+,31+;24?,27-,28?;23?,27-,28-;22?,26-,27-/m0111/s1
InChIKeyIJVOFUAKUHJNCD-AAMFZUSHSA-N
XLogP19.37
TPSA287.54 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds43
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002141.82
LogP ≤ 519.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze (2R)-3-cyclobutyl-2-[(4S)-3-[[4-[ethyl-(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(5-fluoropyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(4-methoxypyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid with MolForge

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Related Compounds

3-cyclobutyl-2-[3-(3-fluorophenyl)-4-[[4-[(5-fluoropyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid
CID 18342621
(2R)-2-cyclohexyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid
CID 505881
3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid
CID 142020840
(2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(6-phenylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid
CID 20664149
(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-ethyl-3-[(4-propoxyphenyl)methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]acetic acid
CID 516308
(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
CID 20664142
(2S)-3-cyclobutyl-2-[(4S)-3-[[4-(7-ethylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid
CID 135707713
(2R)-3-cyclobutyl-2-[(4S)-3-[[4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid
CID 5276949
(2R)-3-cyclobutyl-2-[(3S)-3-[[4-(1-ethyl-3-naphthalen-1-ylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid
CID 59959060
2-cyclohexyl-2-[3-(3-fluorophenyl)-4-[[4-[3-(2-methoxyphenyl)propyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid
CID 20672565
(2R)-2-[(3S,4S)-3-[[4-[3-[[4-(benzenesulfonyl)phenyl]methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid
CID 516304
(2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid
CID 20664115

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclobutyl-2-[(4S)-3-[[4-[ethyl-(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(5-fluoropyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(4-methoxypyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid?
The IUPAC name of (2R)-3-cyclobutyl-2-[(4S)-3-[[4-[ethyl-(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(5-fluoropyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(4-methoxypyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid (CID 158720393) is (2R)-3-cyclobutyl-2-[(4S)-3-[[4-[ethyl-(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(5-fluoropyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(4-methoxypyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for (2R)-3-cyclobutyl-2-[(4S)-3-[[4-[ethyl-(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(5-fluoropyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(4-methoxypyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for (2R)-3-cyclobutyl-2-[(4S)-3-[[4-[ethyl-(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(5-fluoropyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(4-methoxypyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid is CCCN(c1ccccn1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1.CCCN(c1ncc(F)cn1)C1CCN(CC2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1.CCCN(c1nccc(OC)n1)C1CCN(CC2CN(C(CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1.CCN(c1ncc(F)cn1)C1CCN(CC2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1.
What is the InChIKey of (2R)-3-cyclobutyl-2-[(4S)-3-[[4-[ethyl-(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(5-fluoropyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(4-methoxypyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid?
The InChIKey is IJVOFUAKUHJNCD-AAMFZUSHSA-N. The full InChI is InChI=1S/C32H46N4O2.C31H44FN5O3.C30H41F2N5O2.C29H39F2N5O2/c1-2-19-36(30-15-9-10-18-33-30)28-16-20-34(21-17-28)22-27-23-35(24-29(27)25-11-5-3-6-12-25)31(32(37)38)26-13-7-4-8-14-26;1-3-14-37(31-33-13-10-29(34-31)40-2)26-11-15-35(16-12-26)19-24-20-36(28(30(38)39)17-22-6-4-7-22)21-27(24)23-8-5-9-25(32)18-23;1-2-11-37(30-33-16-25(32)17-34-30)26-9-12-35(13-10-26)18-23-19-36(28(29(38)39)14-21-5-3-6-21)20-27(23)22-7-4-8-24(31)15-22;1-2-36(29-32-15-24(31)16-33-29)25-9-11-34(12-10-25)17-22-18-35(27(28(37)38)13-20-5-3-6-20)19-26(22)21-7-4-8-23(30)14-21/h3,5-6,9-12,15,18,26-29,31H,2,4,7-8,13-14,16-17,19-24H2,1H3,(H,37,38);5,8-10,13,18,22,24,26-28H,3-4,6-7,11-12,14-17,19-21H2,1-2H3,(H,38,39);4,7-8,15-17,21,23,26-28H,2-3,5-6,9-14,18-20H2,1H3,(H,38,39);4,7-8,14-16,20,22,25-27H,2-3,5-6,9-13,17-19H2,1H3,(H,37,38)/t27-,29+,31+;24?,27-,28?;23?,27-,28-;22?,26-,27-/m0111/s1.
What are the key properties of (2R)-3-cyclobutyl-2-[(4S)-3-[[4-[ethyl-(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(5-fluoropyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(4-methoxypyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid?
(2R)-3-cyclobutyl-2-[(4S)-3-[[4-[ethyl-(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(5-fluoropyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(4-methoxypyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid has a molecular weight of 2141.82 g/mol, XLogP of 19.37, 43 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclobutyl-2-[(4S)-3-[[4-[ethyl-(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(5-fluoropyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-[(4-methoxypyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 158720393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).