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

C191H232Cl3F6N19O21 — CID 161208413

IUPAC2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid
SMILESCCc1ccc([C@@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)cc1.CCc1ccc([C@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)cc1.O=C(O)C(c1ccc(Cl)cc1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)C(c1ccccc1Cl)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccc(Cl)cc1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1
InChIInChI=1S/2C28H32F3N3O3.3C27H32ClN3O3.2C27H36N2O3/c2*29-28(30,31)22-8-5-20(6-9-22)25(27(36)37)34-16-13-21(17-34)26(35)33-14-11-19(12-15-33)24-10-7-18-3-1-2-4-23(18)32-24;28-22-7-3-2-6-21(22)25(27(33)34)31-16-13-20(17-31)26(32)30-14-11-19(12-15-30)24-10-9-18-5-1-4-8-23(18)29-24;2*28-22-8-5-20(6-9-22)25(27(33)34)31-16-13-21(17-31)26(32)30-14-11-19(12-15-30)24-10-7-18-3-1-2-4-23(18)29-24;2*1-2-20-10-12-22(13-11-20)26(27(30)31)29-17-16-24(19-29)32-18-6-5-8-23-15-14-21-7-3-4-9-25(21)28-23/h2*5-10,19,21,25H,1-4,11-17H2,(H,36,37);2-3,6-7,9-10,19-20,25H,1,4-5,8,11-17H2,(H,33,34);2*5-10,19,21,25H,1-4,11-17H2,(H,33,34);2*10-15,24,26H,2-9,16-19H2,1H3,(H,30,31)/t21-,25+;21-,25-;20-,25?;21-,25?;21-,25+;24-,26+;24-,26-/m1111111/s1
InChIKeyUVXIPMLVXKCBPM-VQBHKBIUSA-N
MW3350.42 g/mol
LogP32.59
Rot. Bonds45

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

2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid (PubChem CID 161208413) has the molecular formula C191H232Cl3F6N19O21 and a molecular weight of 3350.42 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid
PubChem CID161208413
Molecular FormulaC191H232Cl3F6N19O21
Molecular Weight3350.42 g/mol
Exact Mass3346.66
IUPAC Name2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid
SMILESCCc1ccc([C@@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)cc1.CCc1ccc([C@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)cc1.O=C(O)C(c1ccc(Cl)cc1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)C(c1ccccc1Cl)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccc(Cl)cc1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1
InChIInChI=1S/2C28H32F3N3O3.3C27H32ClN3O3.2C27H36N2O3/c2*29-28(30,31)22-8-5-20(6-9-22)25(27(36)37)34-16-13-21(17-34)26(35)33-14-11-19(12-15-33)24-10-7-18-3-1-2-4-23(18)32-24;28-22-7-3-2-6-21(22)25(27(33)34)31-16-13-20(17-31)26(32)30-14-11-19(12-15-30)24-10-9-18-5-1-4-8-23(18)29-24;2*28-22-8-5-20(6-9-22)25(27(33)34)31-16-13-21(17-31)26(32)30-14-11-19(12-15-30)24-10-7-18-3-1-2-4-23(18)29-24;2*1-2-20-10-12-22(13-11-20)26(27(30)31)29-17-16-24(19-29)32-18-6-5-8-23-15-14-21-7-3-4-9-25(21)28-23/h2*5-10,19,21,25H,1-4,11-17H2,(H,36,37);2-3,6-7,9-10,19-20,25H,1,4-5,8,11-17H2,(H,33,34);2*5-10,19,21,25H,1-4,11-17H2,(H,33,34);2*10-15,24,26H,2-9,16-19H2,1H3,(H,30,31)/t21-,25+;21-,25-;20-,25?;21-,25?;21-,25+;24-,26+;24-,26-/m1111111/s1
InChIKeyUVXIPMLVXKCBPM-VQBHKBIUSA-N
XLogP32.59
TPSA494.02 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds45
Heavy Atoms240
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003350.42
LogP ≤ 532.59
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]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 2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid (CID 161208413) is 2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid is CCc1ccc([C@@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)cc1.CCc1ccc([C@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)cc1.O=C(O)C(c1ccc(Cl)cc1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)C(c1ccccc1Cl)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccc(Cl)cc1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.
What is the InChIKey of 2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is UVXIPMLVXKCBPM-VQBHKBIUSA-N. The full InChI is InChI=1S/2C28H32F3N3O3.3C27H32ClN3O3.2C27H36N2O3/c2*29-28(30,31)22-8-5-20(6-9-22)25(27(36)37)34-16-13-21(17-34)26(35)33-14-11-19(12-15-33)24-10-7-18-3-1-2-4-23(18)32-24;28-22-7-3-2-6-21(22)25(27(33)34)31-16-13-20(17-31)26(32)30-14-11-19(12-15-30)24-10-9-18-5-1-4-8-23(18)29-24;2*28-22-8-5-20(6-9-22)25(27(33)34)31-16-13-21(17-31)26(32)30-14-11-19(12-15-30)24-10-7-18-3-1-2-4-23(18)29-24;2*1-2-20-10-12-22(13-11-20)26(27(30)31)29-17-16-24(19-29)32-18-6-5-8-23-15-14-21-7-3-4-9-25(21)28-23/h2*5-10,19,21,25H,1-4,11-17H2,(H,36,37);2-3,6-7,9-10,19-20,25H,1,4-5,8,11-17H2,(H,33,34);2*5-10,19,21,25H,1-4,11-17H2,(H,33,34);2*10-15,24,26H,2-9,16-19H2,1H3,(H,30,31)/t21-,25+;21-,25-;20-,25?;21-,25?;21-,25+;24-,26+;24-,26-/m1111111/s1.
What are the key properties of 2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid?
2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 3350.42 g/mol, XLogP of 32.59, 45 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 161208413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).