(2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-phenyl-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidin-1-yl]pyrrolidin-1-yl]acetic acid

C206H263Cl3N20O23 — CID 159604933

IUPAC(2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-phenyl-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidin-1-yl]pyrrolidin-1-yl]acetic acid
SMILESCc1ccc([C@@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)NCCC4)C2)cc1.Cc1ccc([C@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)NCCC4)C2)cc1.Cc1cccc([C@@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)c1.Cc1cccc([C@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)c1.O=C(O)C(c1cccc(Cl)c1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)C(c1ccccc1)N1CC[C@@H](N2CC[C@@H](CCc3ccc4c(n3)CCCC4)C2)C1.O=C(O)[C@@H](c1ccccc1Cl)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.O=C(O)[C@H](c1ccccc1Cl)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1
InChIInChI=1S/C27H32ClN3O3.C27H35N3O2.2C26H34N2O3.2C25H31ClN2O3.2C25H33N3O3/c28-22-6-3-5-20(16-22)25(27(33)34)31-15-12-21(17-31)26(32)30-13-10-19(11-14-30)24-9-8-18-4-1-2-7-23(18)29-24;31-27(32)26(22-7-2-1-3-8-22)30-17-15-24(19-30)29-16-14-20(18-29)10-12-23-13-11-21-6-4-5-9-25(21)28-23;2*1-19-7-6-9-21(17-19)25(26(29)30)28-15-14-23(18-28)31-16-5-4-10-22-13-12-20-8-2-3-11-24(20)27-22;2*26-22-10-3-2-9-21(22)24(25(29)30)28-15-14-20(17-28)31-16-6-5-8-19-13-12-18-7-1-4-11-23(18)27-19;2*1-18-7-9-19(10-8-18)23(25(29)30)28-15-13-22(17-28)31-16-3-2-6-21-12-11-20-5-4-14-26-24(20)27-21/h3,5-6,8-9,16,19,21,25H,1-2,4,7,10-15,17H2,(H,33,34);1-3,7-8,11,13,20,24,26H,4-6,9-10,12,14-19H2,(H,31,32);2*6-7,9,12-13,17,23,25H,2-5,8,10-11,14-16,18H2,1H3,(H,29,30);2*2-3,9-10,12-13,20,24H,1,4-8,11,14-17H2,(H,29,30);2*7-12,22-23H,2-6,13-17H2,1H3,(H,26,27)(H,29,30)/t21-,25?;20-,24-,26?;23-,25+;23-,25-;20-,24+;20-,24-;22-,23+;22-,23-/m11111111/s1
InChIKeyMLYPOXWUMKGWGJ-MLHOYMBISA-N
MW3493.85 g/mol
LogP35.28
Rot. Bonds66

About (2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-phenyl-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidin-1-yl]pyrrolidin-1-yl]acetic acid

(2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-phenyl-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidin-1-yl]pyrrolidin-1-yl]acetic acid (PubChem CID 159604933) has the molecular formula C206H263Cl3N20O23 and a molecular weight of 3493.85 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-phenyl-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidin-1-yl]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-phenyl-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidin-1-yl]pyrrolidin-1-yl]acetic acid
PubChem CID159604933
Molecular FormulaC206H263Cl3N20O23
Molecular Weight3493.85 g/mol
Exact Mass3489.91
IUPAC Name(2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-phenyl-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidin-1-yl]pyrrolidin-1-yl]acetic acid
SMILESCc1ccc([C@@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)NCCC4)C2)cc1.Cc1ccc([C@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)NCCC4)C2)cc1.Cc1cccc([C@@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)c1.Cc1cccc([C@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)c1.O=C(O)C(c1cccc(Cl)c1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)C(c1ccccc1)N1CC[C@@H](N2CC[C@@H](CCc3ccc4c(n3)CCCC4)C2)C1.O=C(O)[C@@H](c1ccccc1Cl)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.O=C(O)[C@H](c1ccccc1Cl)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1
InChIInChI=1S/C27H32ClN3O3.C27H35N3O2.2C26H34N2O3.2C25H31ClN2O3.2C25H33N3O3/c28-22-6-3-5-20(16-22)25(27(33)34)31-15-12-21(17-31)26(32)30-13-10-19(11-14-30)24-9-8-18-4-1-2-7-23(18)29-24;31-27(32)26(22-7-2-1-3-8-22)30-17-15-24(19-30)29-16-14-20(18-29)10-12-23-13-11-21-6-4-5-9-25(21)28-23;2*1-19-7-6-9-21(17-19)25(26(29)30)28-15-14-23(18-28)31-16-5-4-10-22-13-12-20-8-2-3-11-24(20)27-22;2*26-22-10-3-2-9-21(22)24(25(29)30)28-15-14-20(17-28)31-16-6-5-8-19-13-12-18-7-1-4-11-23(18)27-19;2*1-18-7-9-19(10-8-18)23(25(29)30)28-15-13-22(17-28)31-16-3-2-6-21-12-11-20-5-4-14-26-24(20)27-21/h3,5-6,8-9,16,19,21,25H,1-2,4,7,10-15,17H2,(H,33,34);1-3,7-8,11,13,20,24,26H,4-6,9-10,12,14-19H2,(H,31,32);2*6-7,9,12-13,17,23,25H,2-5,8,10-11,14-16,18H2,1H3,(H,29,30);2*2-3,9-10,12-13,20,24H,1,4-8,11,14-17H2,(H,29,30);2*7-12,22-23H,2-6,13-17H2,1H3,(H,26,27)(H,29,30)/t21-,25?;20-,24-,26?;23-,25+;23-,25-;20-,24+;20-,24-;22-,23+;22-,23-/m11111111/s1
InChIKeyMLYPOXWUMKGWGJ-MLHOYMBISA-N
XLogP35.28
TPSA530.43 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds66
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003493.85
LogP ≤ 535.28
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze (2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-phenyl-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidin-1-yl]pyrrolidin-1-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-phenyl-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidin-1-yl]pyrrolidin-1-yl]acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-phenyl-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidin-1-yl]pyrrolidin-1-yl]acetic acid (CID 159604933) is (2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-phenyl-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidin-1-yl]pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-phenyl-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidin-1-yl]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-phenyl-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidin-1-yl]pyrrolidin-1-yl]acetic acid is Cc1ccc([C@@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)NCCC4)C2)cc1.Cc1ccc([C@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)NCCC4)C2)cc1.Cc1cccc([C@@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)c1.Cc1cccc([C@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)c1.O=C(O)C(c1cccc(Cl)c1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)C(c1ccccc1)N1CC[C@@H](N2CC[C@@H](CCc3ccc4c(n3)CCCC4)C2)C1.O=C(O)[C@@H](c1ccccc1Cl)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.O=C(O)[C@H](c1ccccc1Cl)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-phenyl-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidin-1-yl]pyrrolidin-1-yl]acetic acid?
The InChIKey is MLYPOXWUMKGWGJ-MLHOYMBISA-N. The full InChI is InChI=1S/C27H32ClN3O3.C27H35N3O2.2C26H34N2O3.2C25H31ClN2O3.2C25H33N3O3/c28-22-6-3-5-20(16-22)25(27(33)34)31-15-12-21(17-31)26(32)30-13-10-19(11-14-30)24-9-8-18-4-1-2-7-23(18)29-24;31-27(32)26(22-7-2-1-3-8-22)30-17-15-24(19-30)29-16-14-20(18-29)10-12-23-13-11-21-6-4-5-9-25(21)28-23;2*1-19-7-6-9-21(17-19)25(26(29)30)28-15-14-23(18-28)31-16-5-4-10-22-13-12-20-8-2-3-11-24(20)27-22;2*26-22-10-3-2-9-21(22)24(25(29)30)28-15-14-20(17-28)31-16-6-5-8-19-13-12-18-7-1-4-11-23(18)27-19;2*1-18-7-9-19(10-8-18)23(25(29)30)28-15-13-22(17-28)31-16-3-2-6-21-12-11-20-5-4-14-26-24(20)27-21/h3,5-6,8-9,16,19,21,25H,1-2,4,7,10-15,17H2,(H,33,34);1-3,7-8,11,13,20,24,26H,4-6,9-10,12,14-19H2,(H,31,32);2*6-7,9,12-13,17,23,25H,2-5,8,10-11,14-16,18H2,1H3,(H,29,30);2*2-3,9-10,12-13,20,24H,1,4-8,11,14-17H2,(H,29,30);2*7-12,22-23H,2-6,13-17H2,1H3,(H,26,27)(H,29,30)/t21-,25?;20-,24-,26?;23-,25+;23-,25-;20-,24+;20-,24-;22-,23+;22-,23-/m11111111/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-phenyl-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidin-1-yl]pyrrolidin-1-yl]acetic acid?
(2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-phenyl-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidin-1-yl]pyrrolidin-1-yl]acetic acid has a molecular weight of 3493.85 g/mol, XLogP of 35.28, 66 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-phenyl-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidin-1-yl]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 159604933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).