(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidin-1-yl]azetidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid

C145H182F9N15O14 — CID 158046599

About (2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidin-1-yl]azetidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid

(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidin-1-yl]azetidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid (PubChem CID 158046599) has the molecular formula C145H182F9N15O14 and a molecular weight of 2530.12 g/mol. Its IUPAC name is (2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidin-1-yl]azetidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

• Compound Name: (2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidin-1-yl]azetidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid
• PubChem CID: 158046599
• Molecular Formula: C145H182F9N15O14
• Molecular Weight: 2530.12 g/mol
• Exact Mass: 2528.38
• IUPAC Name: (2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidin-1-yl]azetidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid
• SMILES: CC(C)Oc1ccccc1[C@@H](C(=O)O)N1CC(C(=O)N2CC[C@@H](CCc3ccc4c(n3)CCCC4)C2)C1.CC(C)Oc1ccccc1[C@H](C(=O)O)N1CC(C(=O)N2CC[C@@H](CCc3ccc4c(n3)CCCC4)C2)C1.O=C(O)[C@@H](c1ccc(C(F)(F)F)cc1)N1CC(N2CC(CCCc3ccc4c(n3)CCCC4)C2)C1.O=C(O)[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](N2CCC(CCc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](N2CCC(CCc3ccc4c(n3)CCCC4)CC2)C1
• InChI: InChI=1S/2C30H39N3O4.2C29H36F3N3O2.C27H32F3N3O2/c2*1-20(2)37-27-10-6-4-8-25(27)28(30(35)36)33-18-23(19-33)29(34)32-16-15-21(17-32)11-13-24-14-12-22-7-3-5-9-26(22)31-24;2*30-29(31,32)23-9-6-22(7-10-23)27(28(36)37)35-18-15-25(19-35)34-16-13-20(14-17-34)5-11-24-12-8-21-3-1-2-4-26(21)33-24;28-27(29,30)21-11-8-20(9-12-21)25(26(34)35)33-16-23(17-33)32-14-18(15-32)4-3-6-22-13-10-19-5-1-2-7-24(19)31-22/h2*4,6,8,10,12,14,20-21,23,28H,3,5,7,9,11,13,15-19H2,1-2H3,(H,35,36);2*6-10,12,20,25,27H,1-5,11,13-19H2,(H,36,37);8-13,18,23,25H,1-7,14-17H2,(H,34,35)/t21-,28+;21-,28-;25-,27+;25-,27-;25-/m11111/s1
• InChIKey: FIZIVKRXNBESLJ-WYHUNRKBSA-N
• XLogP: 24.36
• TPSA: 335.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 40
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2530.12
LogP ≤ 5	24.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidin-1-yl]azetidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid?

The IUPAC name of (2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidin-1-yl]azetidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid (CID 158046599) is (2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidin-1-yl]azetidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid.

What is the SMILES notation for (2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidin-1-yl]azetidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid?

The canonical SMILES for (2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidin-1-yl]azetidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid is CC(C)Oc1ccccc1[C@@H](C(=O)O)N1CC(C(=O)N2CC[C@@H](CCc3ccc4c(n3)CCCC4)C2)C1.CC(C)Oc1ccccc1[C@H](C(=O)O)N1CC(C(=O)N2CC[C@@H](CCc3ccc4c(n3)CCCC4)C2)C1.O=C(O)[C@@H](c1ccc(C(F)(F)F)cc1)N1CC(N2CC(CCCc3ccc4c(n3)CCCC4)C2)C1.O=C(O)[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](N2CCC(CCc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](N2CCC(CCc3ccc4c(n3)CCCC4)CC2)C1.

What is the InChIKey of (2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidin-1-yl]azetidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid?

The InChIKey is FIZIVKRXNBESLJ-WYHUNRKBSA-N. The full InChI is InChI=1S/2C30H39N3O4.2C29H36F3N3O2.C27H32F3N3O2/c2*1-20(2)37-27-10-6-4-8-25(27)28(30(35)36)33-18-23(19-33)29(34)32-16-15-21(17-32)11-13-24-14-12-22-7-3-5-9-26(22)31-24;2*30-29(31,32)23-9-6-22(7-10-23)27(28(36)37)35-18-15-25(19-35)34-16-13-20(14-17-34)5-11-24-12-8-21-3-1-2-4-26(21)33-24;28-27(29,30)21-11-8-20(9-12-21)25(26(34)35)33-16-23(17-33)32-14-18(15-32)4-3-6-22-13-10-19-5-1-2-7-24(19)31-22/h2*4,6,8,10,12,14,20-21,23,28H,3,5,7,9,11,13,15-19H2,1-2H3,(H,35,36);2*6-10,12,20,25,27H,1-5,11,13-19H2,(H,36,37);8-13,18,23,25H,1-7,14-17H2,(H,34,35)/t21-,28+;21-,28-;25-,27+;25-,27-;25-/m11111/s1.

What are the key properties of (2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidin-1-yl]azetidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid?

(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidin-1-yl]azetidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 2530.12 g/mol, XLogP of 24.36, 40 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid;(2R)-2-[3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidin-1-yl]azetidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 158046599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).