(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one

C164H218F4N14O20 — CID 159739686

IUPAC(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one
SMILESCCOc1ccc([C@@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)cc1.CCOc1ccc([C@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)cc1.COc1cc(C(C)(F)F)ccc1[C@@H](C(=O)O)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.COc1cc(C(C)(F)F)ccc1[C@H](C(=O)O)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.COc1ccccc1[C@@H](C(C)=O)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1.COc1ccccc1[C@H](C(C)=O)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1
InChIInChI=1S/2C28H36F2N2O4.2C27H37N3O2.2C27H36N2O4/c2*1-28(29,30)20-11-13-23(25(17-20)35-2)26(27(33)34)32-15-14-22(18-32)36-16-6-5-8-21-12-10-19-7-3-4-9-24(19)31-21;2*1-20(31)26(24-12-6-7-13-25(24)32-2)30-18-16-21(19-30)9-4-3-5-11-23-15-14-22-10-8-17-28-27(22)29-23;2*1-2-32-23-14-11-21(12-15-23)26(27(30)31)29-17-16-24(19-29)33-18-6-5-8-22-13-10-20-7-3-4-9-25(20)28-22/h2*10-13,17,22,26H,3-9,14-16,18H2,1-2H3,(H,33,34);2*6-7,12-15,21,26H,3-5,8-11,16-19H2,1-2H3,(H,28,29);2*10-15,24,26H,2-9,16-19H2,1H3,(H,30,31)/t22-,26+;22-,26-;21-,26+;21-,26-;24-,26+;24-,26-/m111111/s1
InChIKeyNCHGXWMLIDDBCV-IKRGOZIZSA-N
MW2781.62 g/mol
LogP30.24
Rot. Bonds64

About (2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one

(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one (PubChem CID 159739686) has the molecular formula C164H218F4N14O20 and a molecular weight of 2781.62 g/mol. Its IUPAC name is (2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one.

Molecular Properties

Compound Name(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one
PubChem CID159739686
Molecular FormulaC164H218F4N14O20
Molecular Weight2781.62 g/mol
Exact Mass2779.64
IUPAC Name(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one
SMILESCCOc1ccc([C@@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)cc1.CCOc1ccc([C@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)cc1.COc1cc(C(C)(F)F)ccc1[C@@H](C(=O)O)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.COc1cc(C(C)(F)F)ccc1[C@H](C(=O)O)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.COc1ccccc1[C@@H](C(C)=O)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1.COc1ccccc1[C@H](C(C)=O)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1
InChIInChI=1S/2C28H36F2N2O4.2C27H37N3O2.2C27H36N2O4/c2*1-28(29,30)20-11-13-23(25(17-20)35-2)26(27(33)34)32-15-14-22(18-32)36-16-6-5-8-21-12-10-19-7-3-4-9-24(19)31-21;2*1-20(31)26(24-12-6-7-13-25(24)32-2)30-18-16-21(19-30)9-4-3-5-11-23-15-14-22-10-8-17-28-27(22)29-23;2*1-2-32-23-14-11-21(12-15-23)26(27(30)31)29-17-16-24(19-29)33-18-6-5-8-22-13-10-20-7-3-4-9-25(20)28-22/h2*10-13,17,22,26H,3-9,14-16,18H2,1-2H3,(H,33,34);2*6-7,12-15,21,26H,3-5,8-11,16-19H2,1-2H3,(H,28,29);2*10-15,24,26H,2-9,16-19H2,1H3,(H,30,31)/t22-,26+;22-,26-;21-,26+;21-,26-;24-,26+;24-,26-/m111111/s1
InChIKeyNCHGXWMLIDDBCV-IKRGOZIZSA-N
XLogP30.24
TPSA396.48 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds64
Heavy Atoms202
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002781.62
LogP ≤ 530.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze (2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one?
The IUPAC name of (2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one (CID 159739686) is (2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one.
What is the SMILES notation for (2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one?
The canonical SMILES for (2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one is CCOc1ccc([C@@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)cc1.CCOc1ccc([C@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)cc1.COc1cc(C(C)(F)F)ccc1[C@@H](C(=O)O)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.COc1cc(C(C)(F)F)ccc1[C@H](C(=O)O)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.COc1ccccc1[C@@H](C(C)=O)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1.COc1ccccc1[C@H](C(C)=O)N1CC[C@@H](CCCCCc2ccc3c(n2)NCCC3)C1.
What is the InChIKey of (2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one?
The InChIKey is NCHGXWMLIDDBCV-IKRGOZIZSA-N. The full InChI is InChI=1S/2C28H36F2N2O4.2C27H37N3O2.2C27H36N2O4/c2*1-28(29,30)20-11-13-23(25(17-20)35-2)26(27(33)34)32-15-14-22(18-32)36-16-6-5-8-21-12-10-19-7-3-4-9-24(19)31-21;2*1-20(31)26(24-12-6-7-13-25(24)32-2)30-18-16-21(19-30)9-4-3-5-11-23-15-14-22-10-8-17-28-27(22)29-23;2*1-2-32-23-14-11-21(12-15-23)26(27(30)31)29-17-16-24(19-29)33-18-6-5-8-22-13-10-20-7-3-4-9-25(20)28-22/h2*10-13,17,22,26H,3-9,14-16,18H2,1-2H3,(H,33,34);2*6-7,12-15,21,26H,3-5,8-11,16-19H2,1-2H3,(H,28,29);2*10-15,24,26H,2-9,16-19H2,1H3,(H,30,31)/t22-,26+;22-,26-;21-,26+;21-,26-;24-,26+;24-,26-/m111111/s1.
What are the key properties of (2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one?
(2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one has a molecular weight of 2781.62 g/mol, XLogP of 30.24, 64 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-[4-(1,1-difluoroethyl)-2-methoxyphenyl]-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-ethoxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1S)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one;(1R)-1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]propan-2-one is sourced from PubChem (CID 159739686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).