(2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-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-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid

C210H271Cl2N21O26 — CID 162018929

IUPAC(2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-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-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid
SMILESCC(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@@H](C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.CC(C)Oc1ccccc1[C@@H](C(=O)O)N1CC[C@@H](C(=O)N2CC[C@@H](CCc3ccc4c(n3)CCCC4)C2)C1.CC(C)Oc1ccccc1[C@H](C(=O)O)N1CC[C@@H](C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.CC(C)Oc1ccccc1[C@H](C(=O)O)N1CC[C@@H](C(=O)N2CC[C@@H](CCc3ccc4c(n3)CCCC4)C2)C1.O=C(O)[C@@H](c1ccccc1Cl)N1CC[C@@H](C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccccc1Cl)N1CC[C@@H](C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1
InChIInChI=1S/4C31H41N3O4.C30H39N3O4.2C28H34ClN3O3/c2*1-21(2)38-28-10-6-4-8-26(28)29(31(36)37)33-18-16-24(20-33)30(35)34-17-15-22(19-34)11-13-25-14-12-23-7-3-5-9-27(23)32-25;2*1-21(2)38-28-10-6-4-8-26(28)29(31(36)37)34-18-15-24(20-34)30(35)33-16-13-22(14-17-33)19-25-12-11-23-7-3-5-9-27(23)32-25;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*29-24-7-3-2-6-23(24)26(28(34)35)32-16-13-21(18-32)27(33)31-14-11-19(12-15-31)17-22-10-9-20-5-1-4-8-25(20)30-22/h2*4,6,8,10,12,14,21-22,24,29H,3,5,7,9,11,13,15-20H2,1-2H3,(H,36,37);2*4,6,8,10-12,21-22,24,29H,3,5,7,9,13-20H2,1-2H3,(H,36,37);4,6,8,10,12,14,20-21,23,28H,3,5,7,9,11,13,15-19H2,1-2H3,(H,35,36);2*2-3,6-7,9-10,19,21,26H,1,4-5,8,11-18H2,(H,34,35)/t22-,24-,29+;22-,24-,29-;24-,29+;24-,29-;21-,28+;21-,26+;21-,26-/m1111111/s1
InChIKeyYUMKOZGPWOQYLL-SXIRSRBTSA-N
MW3576.50 g/mol
LogP32.08
Rot. Bonds55

About (2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-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-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid

(2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-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-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid (PubChem CID 162018929) has the molecular formula C210H271Cl2N21O26 and a molecular weight of 3576.50 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-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-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-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-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid
PubChem CID162018929
Molecular FormulaC210H271Cl2N21O26
Molecular Weight3576.50 g/mol
Exact Mass3572.99
IUPAC Name(2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-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-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid
SMILESCC(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@@H](C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.CC(C)Oc1ccccc1[C@@H](C(=O)O)N1CC[C@@H](C(=O)N2CC[C@@H](CCc3ccc4c(n3)CCCC4)C2)C1.CC(C)Oc1ccccc1[C@H](C(=O)O)N1CC[C@@H](C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.CC(C)Oc1ccccc1[C@H](C(=O)O)N1CC[C@@H](C(=O)N2CC[C@@H](CCc3ccc4c(n3)CCCC4)C2)C1.O=C(O)[C@@H](c1ccccc1Cl)N1CC[C@@H](C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccccc1Cl)N1CC[C@@H](C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1
InChIInChI=1S/4C31H41N3O4.C30H39N3O4.2C28H34ClN3O3/c2*1-21(2)38-28-10-6-4-8-26(28)29(31(36)37)33-18-16-24(20-33)30(35)34-17-15-22(19-34)11-13-25-14-12-23-7-3-5-9-27(23)32-25;2*1-21(2)38-28-10-6-4-8-26(28)29(31(36)37)34-18-15-24(20-34)30(35)33-16-13-22(14-17-33)19-25-12-11-23-7-3-5-9-27(23)32-25;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*29-24-7-3-2-6-23(24)26(28(34)35)32-16-13-21(18-32)27(33)31-14-11-19(12-15-31)17-22-10-9-20-5-1-4-8-25(20)30-22/h2*4,6,8,10,12,14,21-22,24,29H,3,5,7,9,11,13,15-20H2,1-2H3,(H,36,37);2*4,6,8,10-12,21-22,24,29H,3,5,7,9,13-20H2,1-2H3,(H,36,37);4,6,8,10,12,14,20-21,23,28H,3,5,7,9,11,13,15-19H2,1-2H3,(H,35,36);2*2-3,6-7,9-10,19,21,26H,1,4-5,8,11-18H2,(H,34,35)/t22-,24-,29+;22-,24-,29-;24-,29+;24-,29-;21-,28+;21-,26+;21-,26-/m1111111/s1
InChIKeyYUMKOZGPWOQYLL-SXIRSRBTSA-N
XLogP32.08
TPSA562.33 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds55
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003576.50
LogP ≤ 532.08
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Analyze (2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-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-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-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-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-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-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid (CID 162018929) is (2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-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-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]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-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-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-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-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-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]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@@H](C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.CC(C)Oc1ccccc1[C@@H](C(=O)O)N1CC[C@@H](C(=O)N2CC[C@@H](CCc3ccc4c(n3)CCCC4)C2)C1.CC(C)Oc1ccccc1[C@H](C(=O)O)N1CC[C@@H](C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.CC(C)Oc1ccccc1[C@H](C(=O)O)N1CC[C@@H](C(=O)N2CC[C@@H](CCc3ccc4c(n3)CCCC4)C2)C1.O=C(O)[C@@H](c1ccccc1Cl)N1CC[C@@H](C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccccc1Cl)N1CC[C@@H](C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-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-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid?
The InChIKey is YUMKOZGPWOQYLL-SXIRSRBTSA-N. The full InChI is InChI=1S/4C31H41N3O4.C30H39N3O4.2C28H34ClN3O3/c2*1-21(2)38-28-10-6-4-8-26(28)29(31(36)37)33-18-16-24(20-33)30(35)34-17-15-22(19-34)11-13-25-14-12-23-7-3-5-9-27(23)32-25;2*1-21(2)38-28-10-6-4-8-26(28)29(31(36)37)34-18-15-24(20-34)30(35)33-16-13-22(14-17-33)19-25-12-11-23-7-3-5-9-27(23)32-25;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*29-24-7-3-2-6-23(24)26(28(34)35)32-16-13-21(18-32)27(33)31-14-11-19(12-15-31)17-22-10-9-20-5-1-4-8-25(20)30-22/h2*4,6,8,10,12,14,21-22,24,29H,3,5,7,9,11,13,15-20H2,1-2H3,(H,36,37);2*4,6,8,10-12,21-22,24,29H,3,5,7,9,13-20H2,1-2H3,(H,36,37);4,6,8,10,12,14,20-21,23,28H,3,5,7,9,11,13,15-19H2,1-2H3,(H,35,36);2*2-3,6-7,9-10,19,21,26H,1,4-5,8,11-18H2,(H,34,35)/t22-,24-,29+;22-,24-,29-;24-,29+;24-,29-;21-,28+;21-,26+;21-,26-/m1111111/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-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-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid?
(2R)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-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-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid has a molecular weight of 3576.50 g/mol, XLogP of 32.08, 55 rotatable bonds, 7 hydrogen bond donors, and 33 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-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-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-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 162018929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).