(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid

C159H196F8N14O20 — CID 159476203

IUPAC(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid
SMILESC#Cc1ccc([C@@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)NCCC4)C2)cc1.C#Cc1ccc([C@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)NCCC4)C2)cc1.CC(C)(C)Oc1ccc(C(C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)cc1.COc1cc(C(C)(F)F)ccc1[C@H](C(=O)O)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.O=C(O)[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](OCCCc2ccc3c(n2)CCCC3)C1.O=C(O)[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](OCCCc2ccc3c(n2)CCCC3)C1
InChIInChI=1S/C29H40N2O4.C28H36F2N2O4.2C26H31N3O3.2C25H29F3N2O3/c1-29(2,3)35-24-15-12-22(13-16-24)27(28(32)33)31-18-17-25(20-31)34-19-7-6-9-23-14-11-21-8-4-5-10-26(21)30-23;1-28(29,30)20-11-13-23(25(17-20)35-2)26(27(33)34)32-15-14-22(18-32)36-16-6-5-8-21-12-10-19-7-3-4-9-24(19)31-21;2*1-2-19-8-10-20(11-9-19)24(26(30)31)29-16-14-23(18-29)32-17-4-3-7-22-13-12-21-6-5-15-27-25(21)28-22;2*26-25(27,28)19-10-7-18(8-11-19)23(24(31)32)30-14-13-21(16-30)33-15-3-5-20-12-9-17-4-1-2-6-22(17)29-20/h11-16,25,27H,4-10,17-20H2,1-3H3,(H,32,33);10-13,17,22,26H,3-9,14-16,18H2,1-2H3,(H,33,34);2*1,8-13,23-24H,3-7,14-18H2,(H,27,28)(H,30,31);2*7-12,21,23H,1-6,13-16H2,(H,31,32)/t25-,27?;22-,26-;23-,24+;23-,24-;21-,23+;21-,23-/m111111/s1
InChIKeyLWKJKFGADOBLRH-VOELKXEKSA-N
MW2775.38 g/mol
LogP27.68
Rot. Bonds55

About (2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid

(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid (PubChem CID 159476203) has the molecular formula C159H196F8N14O20 and a molecular weight of 2775.38 g/mol. Its IUPAC name is (2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid
PubChem CID159476203
Molecular FormulaC159H196F8N14O20
Molecular Weight2775.38 g/mol
Exact Mass2773.46
IUPAC Name(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid
SMILESC#Cc1ccc([C@@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)NCCC4)C2)cc1.C#Cc1ccc([C@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)NCCC4)C2)cc1.CC(C)(C)Oc1ccc(C(C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)cc1.COc1cc(C(C)(F)F)ccc1[C@H](C(=O)O)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.O=C(O)[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](OCCCc2ccc3c(n2)CCCC3)C1.O=C(O)[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](OCCCc2ccc3c(n2)CCCC3)C1
InChIInChI=1S/C29H40N2O4.C28H36F2N2O4.2C26H31N3O3.2C25H29F3N2O3/c1-29(2,3)35-24-15-12-22(13-16-24)27(28(32)33)31-18-17-25(20-31)34-19-7-6-9-23-14-11-21-8-4-5-10-26(21)30-23;1-28(29,30)20-11-13-23(25(17-20)35-2)26(27(33)34)32-15-14-22(18-32)36-16-6-5-8-21-12-10-19-7-3-4-9-24(19)31-21;2*1-2-19-8-10-20(11-9-19)24(26(30)31)29-16-14-23(18-29)32-17-4-3-7-22-13-12-21-6-5-15-27-25(21)28-22;2*26-25(27,28)19-10-7-18(8-11-19)23(24(31)32)30-14-13-21(16-30)33-15-3-5-20-12-9-17-4-1-2-6-22(17)29-20/h11-16,25,27H,4-10,17-20H2,1-3H3,(H,32,33);10-13,17,22,26H,3-9,14-16,18H2,1-2H3,(H,33,34);2*1,8-13,23-24H,3-7,14-18H2,(H,27,28)(H,30,31);2*7-12,21,23H,1-6,13-16H2,(H,31,32)/t25-,27?;22-,26-;23-,24+;23-,24-;21-,23+;21-,23-/m111111/s1
InChIKeyLWKJKFGADOBLRH-VOELKXEKSA-N
XLogP27.68
TPSA418.48 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds55
Heavy Atoms201
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002775.38
LogP ≤ 527.68
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze (2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of (2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid (CID 159476203) is (2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for (2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for (2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid is C#Cc1ccc([C@@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)NCCC4)C2)cc1.C#Cc1ccc([C@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)NCCC4)C2)cc1.CC(C)(C)Oc1ccc(C(C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)cc1.COc1cc(C(C)(F)F)ccc1[C@H](C(=O)O)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.O=C(O)[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](OCCCc2ccc3c(n2)CCCC3)C1.O=C(O)[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](OCCCc2ccc3c(n2)CCCC3)C1.
What is the InChIKey of (2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is LWKJKFGADOBLRH-VOELKXEKSA-N. The full InChI is InChI=1S/C29H40N2O4.C28H36F2N2O4.2C26H31N3O3.2C25H29F3N2O3/c1-29(2,3)35-24-15-12-22(13-16-24)27(28(32)33)31-18-17-25(20-31)34-19-7-6-9-23-14-11-21-8-4-5-10-26(21)30-23;1-28(29,30)20-11-13-23(25(17-20)35-2)26(27(33)34)32-15-14-22(18-32)36-16-6-5-8-21-12-10-19-7-3-4-9-24(19)31-21;2*1-2-19-8-10-20(11-9-19)24(26(30)31)29-16-14-23(18-29)32-17-4-3-7-22-13-12-21-6-5-15-27-25(21)28-22;2*26-25(27,28)19-10-7-18(8-11-19)23(24(31)32)30-14-13-21(16-30)33-15-3-5-20-12-9-17-4-1-2-6-22(17)29-20/h11-16,25,27H,4-10,17-20H2,1-3H3,(H,32,33);10-13,17,22,26H,3-9,14-16,18H2,1-2H3,(H,33,34);2*1,8-13,23-24H,3-7,14-18H2,(H,27,28)(H,30,31);2*7-12,21,23H,1-6,13-16H2,(H,31,32)/t25-,27?;22-,26-;23-,24+;23-,24-;21-,23+;21-,23-/m111111/s1.
What are the key properties of (2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid?
(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 2775.38 g/mol, XLogP of 27.68, 55 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethynylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propoxy]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 159476203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).