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

C207H258Cl5N21O24 — CID 161427775

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-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-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
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.O=C(O)C(c1ccccc1Cl)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@@H](c1cccc(Cl)c1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@@H](c1ccccc1Cl)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.O=C(O)[C@H](c1cccc(Cl)c1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccccc1Cl)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1
InChIInChI=1S/3C27H32ClN3O3.C26H34N2O3.2C25H31ClN2O3.2C25H33N3O3/c28-22-7-3-2-6-21(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*28-22-6-3-5-20(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;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/h2-3,6-7,9-10,19-20,25H,1,4-5,8,11-17H2,(H,33,34);2*3,5-6,8-9,16,19,21,25H,1-2,4,7,10-15,17H2,(H,33,34);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)/t20-,25?;21-,25+;21-,25-;23-,25-;20-,24+;20-,24-;22-,23+;22-,23-/m11111111/s1
InChIKeyVXPFOYNNWOWHKT-JYNRBBHDSA-N
MW3601.73 g/mol
LogP35.59
Rot. Bonds60

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

(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-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-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 (PubChem CID 161427775) has the molecular formula C207H258Cl5N21O24 and a molecular weight of 3601.73 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-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-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.

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-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-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
PubChem CID161427775
Molecular FormulaC207H258Cl5N21O24
Molecular Weight3601.73 g/mol
Exact Mass3596.81
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-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-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
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.O=C(O)C(c1ccccc1Cl)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@@H](c1cccc(Cl)c1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@@H](c1ccccc1Cl)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.O=C(O)[C@H](c1cccc(Cl)c1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccccc1Cl)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1
InChIInChI=1S/3C27H32ClN3O3.C26H34N2O3.2C25H31ClN2O3.2C25H33N3O3/c28-22-7-3-2-6-21(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*28-22-6-3-5-20(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;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/h2-3,6-7,9-10,19-20,25H,1,4-5,8,11-17H2,(H,33,34);2*3,5-6,8-9,16,19,21,25H,1-2,4,7,10-15,17H2,(H,33,34);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)/t20-,25?;21-,25+;21-,25-;23-,25-;20-,24+;20-,24-;22-,23+;22-,23-/m11111111/s1
InChIKeyVXPFOYNNWOWHKT-JYNRBBHDSA-N
XLogP35.59
TPSA558.58 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds60
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003601.73
LogP ≤ 535.59
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

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

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Related Compounds

2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid
CID 135312185
2-(3-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid
CID 142419025
(2R)-2-(3-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-ethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-ethylphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-ethylphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(4-ethylphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(4-ethylphenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one
CID 159084414
2-(2-chlorophenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid
CID 135312395
(2S)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropyl-4-fluorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(2-cyclopropylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid
CID 159672990
2-(2-cyclohexylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;2-(2-cyclopentylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(2-pyrrolidin-1-ylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-pyrrolidin-1-ylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid
CID 159560331
2-(2-methoxyphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid
CID 135312542
2-(2-propan-2-ylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid
CID 158426747
methyl 2-phenyl-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetate
CID 135312381
(2R)-2-(2-cyclopropylphenyl)-2-[(3R)-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]pyrrolidin-1-yl]acetic acid
CID 146431516
(2S)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid
CID 158460398
2-(2-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid
CID 146417299

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-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-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?
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-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-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 (CID 161427775) 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-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-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.
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-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-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?
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-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-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 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.O=C(O)C(c1ccccc1Cl)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@@H](c1cccc(Cl)c1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@@H](c1ccccc1Cl)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.O=C(O)[C@H](c1cccc(Cl)c1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)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-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-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?
The InChIKey is VXPFOYNNWOWHKT-JYNRBBHDSA-N. The full InChI is InChI=1S/3C27H32ClN3O3.C26H34N2O3.2C25H31ClN2O3.2C25H33N3O3/c28-22-7-3-2-6-21(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*28-22-6-3-5-20(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;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/h2-3,6-7,9-10,19-20,25H,1,4-5,8,11-17H2,(H,33,34);2*3,5-6,8-9,16,19,21,25H,1-2,4,7,10-15,17H2,(H,33,34);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)/t20-,25?;21-,25+;21-,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-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-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?
(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-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-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 has a molecular weight of 3601.73 g/mol, XLogP of 35.59, 60 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-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-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 is sourced from PubChem (CID 161427775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).