2-[2-(5,5-difluorooxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(5,5-dimethyl-1,4-dioxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid

C133H184F2N8O17 — CID 159423053

About 2-[2-(5,5-difluorooxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(5,5-dimethyl-1,4-dioxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid

2-[2-(5,5-difluorooxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(5,5-dimethyl-1,4-dioxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid (PubChem CID 159423053) has the molecular formula C133H184F2N8O17 and a molecular weight of 2204.97 g/mol. Its IUPAC name is 2-[2-(5,5-difluorooxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(5,5-dimethyl-1,4-dioxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[2-(5,5-difluorooxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(5,5-dimethyl-1,4-dioxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid
• PubChem CID: 159423053
• Molecular Formula: C133H184F2N8O17
• Molecular Weight: 2204.97 g/mol
• Exact Mass: 2203.37
• IUPAC Name: 2-[2-(5,5-difluorooxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(5,5-dimethyl-1,4-dioxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid
• SMILES: COc1cc(CCCCO[C@@H]2CCN(C(C(=O)O)c3cc(C)ccc3C3CCC(C)(C)CC3)C2)nc2c1CCCC2.COc1cc(CCCCO[C@@H]2CCN(C(C(=O)O)c3cc(C)ccc3C3CCC(F)(F)CO3)C2)nc2c1CCCC2.Cc1ccc(C2CCC(C)(C)CC2)c(C(C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)c1.Cc1ccc(C2COC(C)(C)CO2)c(C(C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)c1
• InChI: InChI=1S/C35H50N2O4.C34H48N2O3.C32H42F2N2O5.C32H44N2O5/c1-24-12-13-28(25-14-17-35(2,3)18-15-25)30(21-24)33(34(38)39)37-19-16-27(23-37)41-20-8-7-9-26-22-32(40-4)29-10-5-6-11-31(29)36-26;1-24-11-14-29(25-15-18-34(2,3)19-16-25)30(22-24)32(33(37)38)36-20-17-28(23-36)39-21-7-6-9-27-13-12-26-8-4-5-10-31(26)35-27;1-21-10-11-24(28-12-14-32(33,34)20-41-28)26(17-21)30(31(37)38)36-15-13-23(19-36)40-16-6-5-7-22-18-29(39-2)25-8-3-4-9-27(25)35-22;1-22-11-14-26(29-20-39-32(2,3)21-38-29)27(18-22)30(31(35)36)34-16-15-25(19-34)37-17-7-6-9-24-13-12-23-8-4-5-10-28(23)33-24/h12-13,21-22,25,27,33H,5-11,14-20,23H2,1-4H3,(H,38,39);11-14,22,25,28,32H,4-10,15-21,23H2,1-3H3,(H,37,38);10-11,17-18,23,28,30H,3-9,12-16,19-20H2,1-2H3,(H,37,38);11-14,18,25,29-30H,4-10,15-17,19-21H2,1-3H3,(H,35,36)/t27-,33?;28-,32?;23-,28?,30?;25-,29?,30?/m1111/s1
• InChIKey: LPZTXAQZRNETLW-RCBKSVATSA-N
• XLogP: 25.77
• TPSA: 296.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 42
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2204.97
LogP ≤ 5	25.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,5-difluorooxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(5,5-dimethyl-1,4-dioxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid?

The IUPAC name of 2-[2-(5,5-difluorooxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(5,5-dimethyl-1,4-dioxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid (CID 159423053) is 2-[2-(5,5-difluorooxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(5,5-dimethyl-1,4-dioxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid.

What is the SMILES notation for 2-[2-(5,5-difluorooxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(5,5-dimethyl-1,4-dioxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid?

The canonical SMILES for 2-[2-(5,5-difluorooxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(5,5-dimethyl-1,4-dioxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid is COc1cc(CCCCO[C@@H]2CCN(C(C(=O)O)c3cc(C)ccc3C3CCC(C)(C)CC3)C2)nc2c1CCCC2.COc1cc(CCCCO[C@@H]2CCN(C(C(=O)O)c3cc(C)ccc3C3CCC(F)(F)CO3)C2)nc2c1CCCC2.Cc1ccc(C2CCC(C)(C)CC2)c(C(C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)c1.Cc1ccc(C2COC(C)(C)CO2)c(C(C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)c1.

What is the InChIKey of 2-[2-(5,5-difluorooxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(5,5-dimethyl-1,4-dioxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid?

The InChIKey is LPZTXAQZRNETLW-RCBKSVATSA-N. The full InChI is InChI=1S/C35H50N2O4.C34H48N2O3.C32H42F2N2O5.C32H44N2O5/c1-24-12-13-28(25-14-17-35(2,3)18-15-25)30(21-24)33(34(38)39)37-19-16-27(23-37)41-20-8-7-9-26-22-32(40-4)29-10-5-6-11-31(29)36-26;1-24-11-14-29(25-15-18-34(2,3)19-16-25)30(22-24)32(33(37)38)36-20-17-28(23-36)39-21-7-6-9-27-13-12-26-8-4-5-10-31(26)35-27;1-21-10-11-24(28-12-14-32(33,34)20-41-28)26(17-21)30(31(37)38)36-15-13-23(19-36)40-16-6-5-7-22-18-29(39-2)25-8-3-4-9-27(25)35-22;1-22-11-14-26(29-20-39-32(2,3)21-38-29)27(18-22)30(31(35)36)34-16-15-25(19-34)37-17-7-6-9-24-13-12-23-8-4-5-10-28(23)33-24/h12-13,21-22,25,27,33H,5-11,14-20,23H2,1-4H3,(H,38,39);11-14,22,25,28,32H,4-10,15-21,23H2,1-3H3,(H,37,38);10-11,17-18,23,28,30H,3-9,12-16,19-20H2,1-2H3,(H,37,38);11-14,18,25,29-30H,4-10,15-17,19-21H2,1-3H3,(H,35,36)/t27-,33?;28-,32?;23-,28?,30?;25-,29?,30?/m1111/s1.

What are the key properties of 2-[2-(5,5-difluorooxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(5,5-dimethyl-1,4-dioxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid?

2-[2-(5,5-difluorooxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(5,5-dimethyl-1,4-dioxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid has a molecular weight of 2204.97 g/mol, XLogP of 25.77, 42 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(5,5-difluorooxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(4-methoxy-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexyl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[2-(5,5-dimethyl-1,4-dioxan-2-yl)-5-methylphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 159423053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).