2-[1-[4-[[4-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylphenyl]methyl]phenyl]-4-(2H-pyrrol-5-yl)pyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid

C163H173F5N8O15 — CID 159789385

IUPAC2-[1-[4-[[4-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylphenyl]methyl]phenyl]-4-(2H-pyrrol-5-yl)pyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid
SMILESCOc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@@H](N5CCCCC5)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1.COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@@H](c5cccc(C)c5)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1.COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@H](N5CCCCC5)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1.COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@H](c5cccc(C)c5)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1.Cc1cc(-c2cc(CO)ccc2F)ccc1Cc1ccc(N2CC(C3=NCC=C3)CC2CC(=O)O)cc1
InChIInChI=1S/2C34H34FNO3.2C32H37FN2O3.C31H31FN2O3/c2*1-22-5-4-6-26(15-22)28-18-30(19-34(37)38)36(21-28)29-11-7-24(8-12-29)17-25-9-10-27(16-23(25)2)32-20-31(39-3)13-14-33(32)35;2*1-22-16-25(30-20-29(38-2)12-13-31(30)33)9-8-24(22)17-23-6-10-26(11-7-23)35-21-28(18-27(35)19-32(36)37)34-14-4-3-5-15-34;1-20-13-24(28-15-22(19-35)6-11-29(28)32)8-7-23(20)14-21-4-9-26(10-5-21)34-18-25(30-3-2-12-33-30)16-27(34)17-31(36)37/h2*4-16,20,28,30H,17-19,21H2,1-3H3,(H,37,38);2*6-13,16,20,27-28H,3-5,14-15,17-19,21H2,1-2H3,(H,36,37);2-11,13,15,25,27,35H,12,14,16-19H2,1H3,(H,36,37)/t28-,30+;28-,30-;27-,28+;27-,28-;/m0111./s1
InChIKeyNIJAPTIBAPPHQV-CIFITFBYSA-N
MW2579.21 g/mol
LogP33.27
Rot. Bonds40

About 2-[1-[4-[[4-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylphenyl]methyl]phenyl]-4-(2H-pyrrol-5-yl)pyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid

2-[1-[4-[[4-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylphenyl]methyl]phenyl]-4-(2H-pyrrol-5-yl)pyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid (PubChem CID 159789385) has the molecular formula C163H173F5N8O15 and a molecular weight of 2579.21 g/mol. Its IUPAC name is 2-[1-[4-[[4-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylphenyl]methyl]phenyl]-4-(2H-pyrrol-5-yl)pyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-[[4-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylphenyl]methyl]phenyl]-4-(2H-pyrrol-5-yl)pyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid
PubChem CID159789385
Molecular FormulaC163H173F5N8O15
Molecular Weight2579.21 g/mol
Exact Mass2577.29
IUPAC Name2-[1-[4-[[4-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylphenyl]methyl]phenyl]-4-(2H-pyrrol-5-yl)pyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid
SMILESCOc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@@H](N5CCCCC5)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1.COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@@H](c5cccc(C)c5)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1.COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@H](N5CCCCC5)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1.COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@H](c5cccc(C)c5)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1.Cc1cc(-c2cc(CO)ccc2F)ccc1Cc1ccc(N2CC(C3=NCC=C3)CC2CC(=O)O)cc1
InChIInChI=1S/2C34H34FNO3.2C32H37FN2O3.C31H31FN2O3/c2*1-22-5-4-6-26(15-22)28-18-30(19-34(37)38)36(21-28)29-11-7-24(8-12-29)17-25-9-10-27(16-23(25)2)32-20-31(39-3)13-14-33(32)35;2*1-22-16-25(30-20-29(38-2)12-13-31(30)33)9-8-24(22)17-23-6-10-26(11-7-23)35-21-28(18-27(35)19-32(36)37)34-14-4-3-5-15-34;1-20-13-24(28-15-22(19-35)6-11-29(28)32)8-7-23(20)14-21-4-9-26(10-5-21)34-18-25(30-3-2-12-33-30)16-27(34)17-31(36)37/h2*4-16,20,28,30H,17-19,21H2,1-3H3,(H,37,38);2*6-13,16,20,27-28H,3-5,14-15,17-19,21H2,1-2H3,(H,36,37);2-11,13,15,25,27,35H,12,14,16-19H2,1H3,(H,36,37)/t28-,30+;28-,30-;27-,28+;27-,28-;/m0111./s1
InChIKeyNIJAPTIBAPPHQV-CIFITFBYSA-N
XLogP33.27
TPSA278.69 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds40
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002579.21
LogP ≤ 533.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-[1-[4-[[4-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylphenyl]methyl]phenyl]-4-(2H-pyrrol-5-yl)pyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid with MolForge

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Related Compounds

2-[4-[4-[3-[4-[[4-[2-(carboxymethyl)-4-methoxy-4-(4-phenylphenyl)pyrrolidin-1-yl]phenyl]methyl]-3-methylphenyl]-2-fluoro-5-methoxyphenyl]phenyl]-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]pyrrolidin-2-yl]acetic acid
CID 123722058
2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(trifluoromethyl)pyrrolidin-2-yl]acetic acid
CID 132606863
methyl 2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methoxy]phenyl]-4-phenylpyrrolidin-2-yl]acetate
CID 126689083
methyl 2-[4-cyano-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]pyrrolidin-2-yl]acetate
CID 118498233
2-[(2S,4S)-4-methyl-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetic acid
CID 58218607
2-[(2S)-1-[4-[3-(2-fluoro-5-methylphenyl)phenoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 58218614
2-[2-[4-[[4-(2-fluoro-5-methylphenyl)-2-methylphenyl]methyl]phenyl]-4-methyl-5-phenyl-3,4-dihydropyrazol-3-yl]acetic acid
CID 144629637
2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid
CID 57467590
2-[5-cyano-2-[4-[4-(2-fluoro-5-methylphenyl)-2-methylphenoxy]phenyl]-3,4-dihydropyrazol-3-yl]acetic acid
CID 144629672
methyl 2-[(2R,4R)-4-fluoro-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetate
CID 67092869
2-[2-[4-[2-chloro-4-[2-fluoro-5-(hydroxymethyl)phenyl]phenoxy]phenyl]-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]acetic acid
CID 122578774
2-[(2R,4R)-1-[4-[1-(2-benzyl-6-fluoro-3-methoxyphenyl)piperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid
CID 130252373

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[[4-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylphenyl]methyl]phenyl]-4-(2H-pyrrol-5-yl)pyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[4-[[4-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylphenyl]methyl]phenyl]-4-(2H-pyrrol-5-yl)pyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid (CID 159789385) is 2-[1-[4-[[4-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylphenyl]methyl]phenyl]-4-(2H-pyrrol-5-yl)pyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-[[4-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylphenyl]methyl]phenyl]-4-(2H-pyrrol-5-yl)pyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[4-[[4-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylphenyl]methyl]phenyl]-4-(2H-pyrrol-5-yl)pyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid is COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@@H](N5CCCCC5)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1.COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@@H](c5cccc(C)c5)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1.COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@H](N5CCCCC5)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1.COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@H](c5cccc(C)c5)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1.Cc1cc(-c2cc(CO)ccc2F)ccc1Cc1ccc(N2CC(C3=NCC=C3)CC2CC(=O)O)cc1.
What is the InChIKey of 2-[1-[4-[[4-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylphenyl]methyl]phenyl]-4-(2H-pyrrol-5-yl)pyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid?
The InChIKey is NIJAPTIBAPPHQV-CIFITFBYSA-N. The full InChI is InChI=1S/2C34H34FNO3.2C32H37FN2O3.C31H31FN2O3/c2*1-22-5-4-6-26(15-22)28-18-30(19-34(37)38)36(21-28)29-11-7-24(8-12-29)17-25-9-10-27(16-23(25)2)32-20-31(39-3)13-14-33(32)35;2*1-22-16-25(30-20-29(38-2)12-13-31(30)33)9-8-24(22)17-23-6-10-26(11-7-23)35-21-28(18-27(35)19-32(36)37)34-14-4-3-5-15-34;1-20-13-24(28-15-22(19-35)6-11-29(28)32)8-7-23(20)14-21-4-9-26(10-5-21)34-18-25(30-3-2-12-33-30)16-27(34)17-31(36)37/h2*4-16,20,28,30H,17-19,21H2,1-3H3,(H,37,38);2*6-13,16,20,27-28H,3-5,14-15,17-19,21H2,1-2H3,(H,36,37);2-11,13,15,25,27,35H,12,14,16-19H2,1H3,(H,36,37)/t28-,30+;28-,30-;27-,28+;27-,28-;/m0111./s1.
What are the key properties of 2-[1-[4-[[4-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylphenyl]methyl]phenyl]-4-(2H-pyrrol-5-yl)pyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid?
2-[1-[4-[[4-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylphenyl]methyl]phenyl]-4-(2H-pyrrol-5-yl)pyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid has a molecular weight of 2579.21 g/mol, XLogP of 33.27, 40 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[[4-[2-fluoro-5-(hydroxymethyl)phenyl]-2-methylphenyl]methyl]phenyl]-4-(2H-pyrrol-5-yl)pyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-(3-methylphenyl)pyrrolidin-2-yl]acetic acid;2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid;2-[(2R,4R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-piperidin-1-ylpyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 159789385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).