2-[4-[1-benzyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[1-methyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]phenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[2-(4-methylsulfanylbenzoyl)cyclopentyl]phenoxy]-2-methylpropanoic acid;2-[4-[1-ethoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[4-[1-methoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid

C134H160N4O24S5 — CID 158321468

IUPAC2-[4-[1-benzyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[1-methyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]phenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[2-(4-methylsulfanylbenzoyl)cyclopentyl]phenoxy]-2-methylpropanoic acid;2-[4-[1-ethoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[4-[1-methoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
SMILESCCOC(=O)N1CC(C(=O)c2ccc(SC)cc2)C(c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)C1.COC(=O)N1CC(C(=O)c2ccc(SC)cc2)C(c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)C1.CSc1ccc(C(=O)C2CCCC2c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)cc1.CSc1ccc(C(=O)C2CN(C)CC2c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)cc1.CSc1ccc(C(=O)C2CN(Cc3ccccc3)CC2c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)cc1
InChIInChI=1S/C31H35NO4S.C27H33NO6S.C26H31NO6S.C25H31NO4S.C25H30O4S/c1-20-15-24(16-21(2)29(20)36-31(3,4)30(34)35)26-18-32(17-22-9-7-6-8-10-22)19-27(26)28(33)23-11-13-25(37-5)14-12-23;1-7-33-26(32)28-14-21(22(15-28)23(29)18-8-10-20(35-6)11-9-18)19-12-16(2)24(17(3)13-19)34-27(4,5)25(30)31;1-15-11-18(12-16(2)23(15)33-26(3,4)24(29)30)20-13-27(25(31)32-5)14-21(20)22(28)17-7-9-19(34-6)10-8-17;1-15-11-18(12-16(2)23(15)30-25(3,4)24(28)29)20-13-26(5)14-21(20)22(27)17-7-9-19(31-6)10-8-17;1-15-13-18(14-16(2)23(15)29-25(3,4)24(27)28)20-7-6-8-21(20)22(26)17-9-11-19(30-5)12-10-17/h6-16,26-27H,17-19H2,1-5H3,(H,34,35);8-13,21-22H,7,14-15H2,1-6H3,(H,30,31);7-12,20-21H,13-14H2,1-6H3,(H,29,30);7-12,20-21H,13-14H2,1-6H3,(H,28,29);9-14,20-21H,6-8H2,1-5H3,(H,27,28)
InChIKeyGOXBHHAVNGVBED-UHFFFAOYSA-N
MW2371.09 g/mol
LogP27.45
Rot. Bonds38

About 2-[4-[1-benzyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[1-methyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]phenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[2-(4-methylsulfanylbenzoyl)cyclopentyl]phenoxy]-2-methylpropanoic acid;2-[4-[1-ethoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[4-[1-methoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid

2-[4-[1-benzyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[1-methyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]phenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[2-(4-methylsulfanylbenzoyl)cyclopentyl]phenoxy]-2-methylpropanoic acid;2-[4-[1-ethoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[4-[1-methoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid (PubChem CID 158321468) has the molecular formula C134H160N4O24S5 and a molecular weight of 2371.09 g/mol. Its IUPAC name is 2-[4-[1-benzyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[1-methyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]phenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[2-(4-methylsulfanylbenzoyl)cyclopentyl]phenoxy]-2-methylpropanoic acid;2-[4-[1-ethoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[4-[1-methoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[1-benzyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[1-methyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]phenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[2-(4-methylsulfanylbenzoyl)cyclopentyl]phenoxy]-2-methylpropanoic acid;2-[4-[1-ethoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[4-[1-methoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
PubChem CID158321468
Molecular FormulaC134H160N4O24S5
Molecular Weight2371.09 g/mol
Exact Mass2369.00
IUPAC Name2-[4-[1-benzyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[1-methyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]phenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[2-(4-methylsulfanylbenzoyl)cyclopentyl]phenoxy]-2-methylpropanoic acid;2-[4-[1-ethoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[4-[1-methoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
SMILESCCOC(=O)N1CC(C(=O)c2ccc(SC)cc2)C(c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)C1.COC(=O)N1CC(C(=O)c2ccc(SC)cc2)C(c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)C1.CSc1ccc(C(=O)C2CCCC2c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)cc1.CSc1ccc(C(=O)C2CN(C)CC2c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)cc1.CSc1ccc(C(=O)C2CN(Cc3ccccc3)CC2c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)cc1
InChIInChI=1S/C31H35NO4S.C27H33NO6S.C26H31NO6S.C25H31NO4S.C25H30O4S/c1-20-15-24(16-21(2)29(20)36-31(3,4)30(34)35)26-18-32(17-22-9-7-6-8-10-22)19-27(26)28(33)23-11-13-25(37-5)14-12-23;1-7-33-26(32)28-14-21(22(15-28)23(29)18-8-10-20(35-6)11-9-18)19-12-16(2)24(17(3)13-19)34-27(4,5)25(30)31;1-15-11-18(12-16(2)23(15)33-26(3,4)24(29)30)20-13-27(25(31)32-5)14-21(20)22(28)17-7-9-19(34-6)10-8-17;1-15-11-18(12-16(2)23(15)30-25(3,4)24(28)29)20-13-26(5)14-21(20)22(27)17-7-9-19(31-6)10-8-17;1-15-13-18(14-16(2)23(15)29-25(3,4)24(27)28)20-7-6-8-21(20)22(26)17-9-11-19(30-5)12-10-17/h6-16,26-27H,17-19H2,1-5H3,(H,34,35);8-13,21-22H,7,14-15H2,1-6H3,(H,30,31);7-12,20-21H,13-14H2,1-6H3,(H,29,30);7-12,20-21H,13-14H2,1-6H3,(H,28,29);9-14,20-21H,6-8H2,1-5H3,(H,27,28)
InChIKeyGOXBHHAVNGVBED-UHFFFAOYSA-N
XLogP27.45
TPSA383.56 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds38
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002371.09
LogP ≤ 527.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Analyze 2-[4-[1-benzyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[1-methyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]phenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[2-(4-methylsulfanylbenzoyl)cyclopentyl]phenoxy]-2-methylpropanoic acid;2-[4-[1-ethoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[4-[1-methoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid with MolForge

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Related Compounds

2-[3-fluoro-4-[[(3S,4S)-4-[4-[[2-[3-fluoro-4-[[(3R,4R)-4-(4-methylsulfanylbenzoyl)-1-phenoxycarbonylpyrrolidin-3-yl]methyl]phenoxy]-2-methylpropanoyl]oxymethylsulfanyl]benzoyl]-1-phenoxycarbonylpyrrolidin-3-yl]methyl]phenoxy]-2-methylpropanoic acid
CID 146605814
2-[4-[[(3R,4R)-4-[4-[[2-[4-[[(3S,4S)-1-(4-chlorophenoxy)carbonyl-4-[4-[[2-[4-[[(3R,4R)-1-(4-chlorophenoxy)carbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoyl]oxymethylsulfanyl]benzoyl]pyrrolidin-3-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoyl]oxymethylsulfanyl]benzoyl]-1-(4-fluorophenoxy)carbonylpyrrolidin-3-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 146605826
2-[2,6-dimethyl-4-[(3S,4R)-4-(4-methylsulfanylbenzoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]phenoxy]-2-methylpropanoic acid
CID 139338854
2-[2,6-dimethyl-4-[(3R,4S)-4-(4-methylsulfanylbenzoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]phenoxy]-2-methylpropanoic acid
CID 139338857
3-[3-[[(3R,4S)-3-[4-(2-carboxypropan-2-yloxy)-3,5-dimethylphenyl]-4-(4-methylsulfanylbenzoyl)pyrrolidine-1-carbonyl]oxymethyl]phenyl]-2-[2,6-dimethyl-4-[(3S,4R)-4-(4-methylsulfanylbenzoyl)-1-propan-2-yloxycarbonylpyrrolidin-3-yl]phenoxy]-2-methylpropanoic acid
CID 139338950
2-[4-[(3S,4R)-1-[3-[[2-(2-carboxypropan-2-yloxy)-3-methyl-5-[(3R,4S)-4-(4-methylsulfanylbenzoyl)-1-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]phenyl]methyl]pyrrolidine-1-carbonyl]-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 139339048
2-[2,6-Dimethyl-4-[4-(4-methylsulfanylbenzoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]phenoxy]-2-methylpropanoic acid
CID 139339161
2-[4-[1-Benzoyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 139339166
2-[4-[(3R,4S)-1-[[3-[[5-[(3S,4R)-1-benzyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2-(2-carboxypropan-2-yloxy)-3-methylphenyl]methyl]phenyl]methyl]-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 139339293
2-[4-[(3S,4R)-1-benzoyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 139339440
2-[4-[(3R,4S)-1-benzoyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 139339441
ethyl 2-[4-[(3S,4R)-1-benzoyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoate
CID 139339457

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-benzyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[1-methyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]phenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[2-(4-methylsulfanylbenzoyl)cyclopentyl]phenoxy]-2-methylpropanoic acid;2-[4-[1-ethoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[4-[1-methoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[1-benzyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[1-methyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]phenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[2-(4-methylsulfanylbenzoyl)cyclopentyl]phenoxy]-2-methylpropanoic acid;2-[4-[1-ethoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[4-[1-methoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid (CID 158321468) is 2-[4-[1-benzyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[1-methyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]phenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[2-(4-methylsulfanylbenzoyl)cyclopentyl]phenoxy]-2-methylpropanoic acid;2-[4-[1-ethoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[4-[1-methoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[1-benzyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[1-methyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]phenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[2-(4-methylsulfanylbenzoyl)cyclopentyl]phenoxy]-2-methylpropanoic acid;2-[4-[1-ethoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[4-[1-methoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[1-benzyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[1-methyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]phenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[2-(4-methylsulfanylbenzoyl)cyclopentyl]phenoxy]-2-methylpropanoic acid;2-[4-[1-ethoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[4-[1-methoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid is CCOC(=O)N1CC(C(=O)c2ccc(SC)cc2)C(c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)C1.COC(=O)N1CC(C(=O)c2ccc(SC)cc2)C(c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)C1.CSc1ccc(C(=O)C2CCCC2c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)cc1.CSc1ccc(C(=O)C2CN(C)CC2c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)cc1.CSc1ccc(C(=O)C2CN(Cc3ccccc3)CC2c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)cc1.
What is the InChIKey of 2-[4-[1-benzyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[1-methyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]phenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[2-(4-methylsulfanylbenzoyl)cyclopentyl]phenoxy]-2-methylpropanoic acid;2-[4-[1-ethoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[4-[1-methoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid?
The InChIKey is GOXBHHAVNGVBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35NO4S.C27H33NO6S.C26H31NO6S.C25H31NO4S.C25H30O4S/c1-20-15-24(16-21(2)29(20)36-31(3,4)30(34)35)26-18-32(17-22-9-7-6-8-10-22)19-27(26)28(33)23-11-13-25(37-5)14-12-23;1-7-33-26(32)28-14-21(22(15-28)23(29)18-8-10-20(35-6)11-9-18)19-12-16(2)24(17(3)13-19)34-27(4,5)25(30)31;1-15-11-18(12-16(2)23(15)33-26(3,4)24(29)30)20-13-27(25(31)32-5)14-21(20)22(28)17-7-9-19(34-6)10-8-17;1-15-11-18(12-16(2)23(15)30-25(3,4)24(28)29)20-13-26(5)14-21(20)22(27)17-7-9-19(31-6)10-8-17;1-15-13-18(14-16(2)23(15)29-25(3,4)24(27)28)20-7-6-8-21(20)22(26)17-9-11-19(30-5)12-10-17/h6-16,26-27H,17-19H2,1-5H3,(H,34,35);8-13,21-22H,7,14-15H2,1-6H3,(H,30,31);7-12,20-21H,13-14H2,1-6H3,(H,29,30);7-12,20-21H,13-14H2,1-6H3,(H,28,29);9-14,20-21H,6-8H2,1-5H3,(H,27,28).
What are the key properties of 2-[4-[1-benzyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[1-methyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]phenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[2-(4-methylsulfanylbenzoyl)cyclopentyl]phenoxy]-2-methylpropanoic acid;2-[4-[1-ethoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[4-[1-methoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid?
2-[4-[1-benzyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[1-methyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]phenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[2-(4-methylsulfanylbenzoyl)cyclopentyl]phenoxy]-2-methylpropanoic acid;2-[4-[1-ethoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[4-[1-methoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid has a molecular weight of 2371.09 g/mol, XLogP of 27.45, 38 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-benzyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[1-methyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]phenoxy]-2-methylpropanoic acid;2-[2,6-dimethyl-4-[2-(4-methylsulfanylbenzoyl)cyclopentyl]phenoxy]-2-methylpropanoic acid;2-[4-[1-ethoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid;2-[4-[1-methoxycarbonyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]-2,6-dimethylphenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 158321468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).