(2S)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid

C196H262F4N14O19 — CID 159579759

IUPAC(2S)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid
SMILESCC(F)(F)c1ccc([C@@H](C(=O)O)N2CC[C@@H](OCCCCCc3ccc4c(n3)CCCC4)C2)cc1.CC(F)(F)c1ccc([C@H](C(=O)O)N2CC[C@@H](OCCCCCc3ccc4c(n3)CCCC4)C2)cc1.CCc1ccccc1[C@@H](C(C)=O)N1CC[C@@H](OCCCCCc2ccc3c(n2)CCCC3)C1.CCc1ccccc1[C@H](C(C)=O)N1CC[C@@H](OCCCCCc2ccc3c(n2)CCCC3)C1.COc1ccccc1[C@H](C(C)=O)N1CC[C@@H](OCCCCCc2ccc3c(n2)CCCC3)C1.Cc1cccc([C@@H](C(=O)O)N2CC[C@@H](OCCCCCc3ccc4c(n3)CCCC4)C2)c1.Cc1cccc([C@H](C(=O)O)N2CC[C@@H](OCCCCCc3ccc4c(n3)CCCC4)C2)c1
InChIInChI=1S/2C29H40N2O2.2C28H36F2N2O3.C28H38N2O3.2C27H36N2O3/c2*1-3-23-11-6-8-14-27(23)29(22(2)32)31-19-18-26(21-31)33-20-10-4-5-13-25-17-16-24-12-7-9-15-28(24)30-25;2*1-28(29,30)22-13-10-21(11-14-22)26(27(33)34)32-17-16-24(19-32)35-18-6-2-3-8-23-15-12-20-7-4-5-9-25(20)31-23;1-21(31)28(25-12-6-8-14-27(25)32-2)30-18-17-24(20-30)33-19-9-3-4-11-23-16-15-22-10-5-7-13-26(22)29-23;2*1-20-8-7-10-22(18-20)26(27(30)31)29-16-15-24(19-29)32-17-6-2-3-11-23-14-13-21-9-4-5-12-25(21)28-23/h2*6,8,11,14,16-17,26,29H,3-5,7,9-10,12-13,15,18-21H2,1-2H3;2*10-15,24,26H,2-9,16-19H2,1H3,(H,33,34);6,8,12,14-16,24,28H,3-5,7,9-11,13,17-20H2,1-2H3;2*7-8,10,13-14,18,24,26H,2-6,9,11-12,15-17,19H2,1H3,(H,30,31)/t26-,29+;26-,29-;24-,26+;24-,26-;24-,28+;24-,26+;24-,26-/m1111111/s1
InChIKeyMIWCBAZNUUXXHB-BWWSUCFESA-N
MW3194.32 g/mol
LogP37.62
Rot. Bonds75

About (2S)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid

(2S)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid (PubChem CID 159579759) has the molecular formula C196H262F4N14O19 and a molecular weight of 3194.32 g/mol. Its IUPAC name is (2S)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name(2S)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid
PubChem CID159579759
Molecular FormulaC196H262F4N14O19
Molecular Weight3194.32 g/mol
Exact Mass3191.99
IUPAC Name(2S)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid
SMILESCC(F)(F)c1ccc([C@@H](C(=O)O)N2CC[C@@H](OCCCCCc3ccc4c(n3)CCCC4)C2)cc1.CC(F)(F)c1ccc([C@H](C(=O)O)N2CC[C@@H](OCCCCCc3ccc4c(n3)CCCC4)C2)cc1.CCc1ccccc1[C@@H](C(C)=O)N1CC[C@@H](OCCCCCc2ccc3c(n2)CCCC3)C1.CCc1ccccc1[C@H](C(C)=O)N1CC[C@@H](OCCCCCc2ccc3c(n2)CCCC3)C1.COc1ccccc1[C@H](C(C)=O)N1CC[C@@H](OCCCCCc2ccc3c(n2)CCCC3)C1.Cc1cccc([C@@H](C(=O)O)N2CC[C@@H](OCCCCCc3ccc4c(n3)CCCC4)C2)c1.Cc1cccc([C@H](C(=O)O)N2CC[C@@H](OCCCCCc3ccc4c(n3)CCCC4)C2)c1
InChIInChI=1S/2C29H40N2O2.2C28H36F2N2O3.C28H38N2O3.2C27H36N2O3/c2*1-3-23-11-6-8-14-27(23)29(22(2)32)31-19-18-26(21-31)33-20-10-4-5-13-25-17-16-24-12-7-9-15-28(24)30-25;2*1-28(29,30)22-13-10-21(11-14-22)26(27(33)34)32-17-16-24(19-32)35-18-6-2-3-8-23-15-12-20-7-4-5-9-25(20)31-23;1-21(31)28(25-12-6-8-14-27(25)32-2)30-18-17-24(20-30)33-19-9-3-4-11-23-16-15-22-10-5-7-13-26(22)29-23;2*1-20-8-7-10-22(18-20)26(27(30)31)29-16-15-24(19-29)32-17-6-2-3-11-23-14-13-21-9-4-5-12-25(21)28-23/h2*6,8,11,14,16-17,26,29H,3-5,7,9-10,12-13,15,18-21H2,1-2H3;2*10-15,24,26H,2-9,16-19H2,1H3,(H,33,34);6,8,12,14-16,24,28H,3-5,7,9-11,13,17-20H2,1-2H3;2*7-8,10,13-14,18,24,26H,2-6,9,11-12,15-17,19H2,1H3,(H,30,31)/t26-,29+;26-,29-;24-,26+;24-,26-;24-,28+;24-,26+;24-,26-/m1111111/s1
InChIKeyMIWCBAZNUUXXHB-BWWSUCFESA-N
XLogP37.62
TPSA387.16 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds75
Heavy Atoms233
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003194.32
LogP ≤ 537.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze (2S)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid?
The IUPAC name of (2S)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid (CID 159579759) is (2S)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for (2S)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for (2S)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid is CC(F)(F)c1ccc([C@@H](C(=O)O)N2CC[C@@H](OCCCCCc3ccc4c(n3)CCCC4)C2)cc1.CC(F)(F)c1ccc([C@H](C(=O)O)N2CC[C@@H](OCCCCCc3ccc4c(n3)CCCC4)C2)cc1.CCc1ccccc1[C@@H](C(C)=O)N1CC[C@@H](OCCCCCc2ccc3c(n2)CCCC3)C1.CCc1ccccc1[C@H](C(C)=O)N1CC[C@@H](OCCCCCc2ccc3c(n2)CCCC3)C1.COc1ccccc1[C@H](C(C)=O)N1CC[C@@H](OCCCCCc2ccc3c(n2)CCCC3)C1.Cc1cccc([C@@H](C(=O)O)N2CC[C@@H](OCCCCCc3ccc4c(n3)CCCC4)C2)c1.Cc1cccc([C@H](C(=O)O)N2CC[C@@H](OCCCCCc3ccc4c(n3)CCCC4)C2)c1.
What is the InChIKey of (2S)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid?
The InChIKey is MIWCBAZNUUXXHB-BWWSUCFESA-N. The full InChI is InChI=1S/2C29H40N2O2.2C28H36F2N2O3.C28H38N2O3.2C27H36N2O3/c2*1-3-23-11-6-8-14-27(23)29(22(2)32)31-19-18-26(21-31)33-20-10-4-5-13-25-17-16-24-12-7-9-15-28(24)30-25;2*1-28(29,30)22-13-10-21(11-14-22)26(27(33)34)32-17-16-24(19-32)35-18-6-2-3-8-23-15-12-20-7-4-5-9-25(20)31-23;1-21(31)28(25-12-6-8-14-27(25)32-2)30-18-17-24(20-30)33-19-9-3-4-11-23-16-15-22-10-5-7-13-26(22)29-23;2*1-20-8-7-10-22(18-20)26(27(30)31)29-16-15-24(19-29)32-17-6-2-3-11-23-14-13-21-9-4-5-12-25(21)28-23/h2*6,8,11,14,16-17,26,29H,3-5,7,9-10,12-13,15,18-21H2,1-2H3;2*10-15,24,26H,2-9,16-19H2,1H3,(H,33,34);6,8,12,14-16,24,28H,3-5,7,9-11,13,17-20H2,1-2H3;2*7-8,10,13-14,18,24,26H,2-6,9,11-12,15-17,19H2,1H3,(H,30,31)/t26-,29+;26-,29-;24-,26+;24-,26-;24-,28+;24-,26+;24-,26-/m1111111/s1.
What are the key properties of (2S)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid?
(2S)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid has a molecular weight of 3194.32 g/mol, XLogP of 37.62, 75 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-[4-(1,1-difluoroethyl)phenyl]-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-ethylphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one;(2S)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-methylphenyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 159579759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).