(2S)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one
C184H246N18O21 — CID 158668631
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC(2S)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one
SMILESCCc1cc(C)ccc1[C@@H](C(=O)O)N1CC(OCCCCc2ccc3c(n2)NCCC3)C1.CCc1cc(C)ccc1[C@H](C(=O)O)N1CC(OCCCCc2ccc3c(n2)NCCC3)C1.CCc1ccccc1[C@@H](C(=O)O)N1CC(OCCCCCc2ccc3c(n2)CCCC3)C1.CCc1ccccc1[C@@H](C(=O)O)N1CC(OCCCCc2ccc3c(n2)NCCC3)C1.CCc1ccccc1[C@H](C(=O)O)N1CC(OCCCCCc2ccc3c(n2)CCCC3)C1.CCc1ccccc1[C@H](C(=O)O)N1CC(OCCCCc2ccc3c(n2)NCCC3)C1.COc1ccccc1C(C(C)=O)N1CC[C@@H](OCCCCCc2ccc3c(n2)CCCC3)C1
InChIInChI=1S/C28H38N2O3.2C27H36N2O3.2C26H35N3O3.2C25H33N3O3/c1-21(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*1-2-20-10-5-7-13-24(20)26(27(30)31)29-18-23(19-29)32-17-9-3-4-12-22-16-15-21-11-6-8-14-25(21)28-22;2*1-3-19-15-18(2)9-12-23(19)24(26(30)31)29-16-22(17-29)32-14-5-4-8-21-11-10-20-7-6-13-27-25(20)28-21;2*1-2-18-8-3-4-11-22(18)23(25(29)30)28-16-21(17-28)31-15-6-5-10-20-13-12-19-9-7-14-26-24(19)27-20/h6,8,12,14-16,24,28H,3-5,7,9-11,13,17-20H2,1-2H3;2*5,7,10,13,15-16,23,26H,2-4,6,8-9,11-12,14,17-19H2,1H3,(H,30,31);2*9-12,15,22,24H,3-8,13-14,16-17H2,1-2H3,(H,27,28)(H,30,31);2*3-4,8,11-13,21,23H,2,5-7,9-10,14-17H2,1H3,(H,26,27)(H,29,30)/t24-,28?;2*26-;2*24-;2*23-/m1101010/s1
InChIKeyIDRCUWLFPYDAGQ-OWEMMMGASA-N
MW3046.10 g/mol
LogP30.65
Rot. Bonds73
About (2S)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one
(2S)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one (PubChem CID 158668631) has the molecular formula C184H246N18O21 and a molecular weight of 3046.10 g/mol. Its IUPAC name is (2S)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one.
Molecular Properties
| Compound Name | (2S)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one |
|---|---|
| PubChem CID | 158668631 |
| Molecular Formula | C184H246N18O21 |
| Molecular Weight | 3046.10 g/mol |
| Exact Mass | 3043.87 |
| IUPAC Name | (2S)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one |
| SMILES | CCc1cc(C)ccc1[C@@H](C(=O)O)N1CC(OCCCCc2ccc3c(n2)NCCC3)C1.CCc1cc(C)ccc1[C@H](C(=O)O)N1CC(OCCCCc2ccc3c(n2)NCCC3)C1.CCc1ccccc1[C@@H](C(=O)O)N1CC(OCCCCCc2ccc3c(n2)CCCC3)C1.CCc1ccccc1[C@@H](C(=O)O)N1CC(OCCCCc2ccc3c(n2)NCCC3)C1.CCc1ccccc1[C@H](C(=O)O)N1CC(OCCCCCc2ccc3c(n2)CCCC3)C1.CCc1ccccc1[C@H](C(=O)O)N1CC(OCCCCc2ccc3c(n2)NCCC3)C1.COc1ccccc1C(C(C)=O)N1CC[C@@H](OCCCCCc2ccc3c(n2)CCCC3)C1 |
| InChI | InChI=1S/C28H38N2O3.2C27H36N2O3.2C26H35N3O3.2C25H33N3O3/c1-21(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*1-2-20-10-5-7-13-24(20)26(27(30)31)29-18-23(19-29)32-17-9-3-4-12-22-16-15-21-11-6-8-14-25(21)28-22;2*1-3-19-15-18(2)9-12-23(19)24(26(30)31)29-16-22(17-29)32-14-5-4-8-21-11-10-20-7-6-13-27-25(20)28-21;2*1-2-18-8-3-4-11-22(18)23(25(29)30)28-16-21(17-28)31-15-6-5-10-20-13-12-19-9-7-14-26-24(19)27-20/h6,8,12,14-16,24,28H,3-5,7,9-11,13,17-20H2,1-2H3;2*5,7,10,13,15-16,23,26H,2-4,6,8-9,11-12,14,17-19H2,1H3,(H,30,31);2*9-12,15,22,24H,3-8,13-14,16-17H2,1-2H3,(H,27,28)(H,30,31);2*3-4,8,11-13,21,23H,2,5-7,9-10,14-17H2,1H3,(H,26,27)(H,29,30)/t24-,28?;2*26-;2*24-;2*23-/m1101010/s1 |
| InChIKey | IDRCUWLFPYDAGQ-OWEMMMGASA-N |
| XLogP | 30.65 |
| TPSA | 475.74 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 73 |
| Heavy Atoms | 223 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3046.10 |
| LogP ≤ 5 | 30.65 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 33 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of (2S)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one?
The IUPAC name of (2S)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one (CID 158668631) is (2S)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one.
What is the SMILES notation for (2S)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one?
The canonical SMILES for (2S)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one is CCc1cc(C)ccc1[C@@H](C(=O)O)N1CC(OCCCCc2ccc3c(n2)NCCC3)C1.CCc1cc(C)ccc1[C@H](C(=O)O)N1CC(OCCCCc2ccc3c(n2)NCCC3)C1.CCc1ccccc1[C@@H](C(=O)O)N1CC(OCCCCCc2ccc3c(n2)CCCC3)C1.CCc1ccccc1[C@@H](C(=O)O)N1CC(OCCCCc2ccc3c(n2)NCCC3)C1.CCc1ccccc1[C@H](C(=O)O)N1CC(OCCCCCc2ccc3c(n2)CCCC3)C1.CCc1ccccc1[C@H](C(=O)O)N1CC(OCCCCc2ccc3c(n2)NCCC3)C1.COc1ccccc1C(C(C)=O)N1CC[C@@H](OCCCCCc2ccc3c(n2)CCCC3)C1.
What is the InChIKey of (2S)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one?
The InChIKey is IDRCUWLFPYDAGQ-OWEMMMGASA-N. The full InChI is InChI=1S/C28H38N2O3.2C27H36N2O3.2C26H35N3O3.2C25H33N3O3/c1-21(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*1-2-20-10-5-7-13-24(20)26(27(30)31)29-18-23(19-29)32-17-9-3-4-12-22-16-15-21-11-6-8-14-25(21)28-22;2*1-3-19-15-18(2)9-12-23(19)24(26(30)31)29-16-22(17-29)32-14-5-4-8-21-11-10-20-7-6-13-27-25(20)28-21;2*1-2-18-8-3-4-11-22(18)23(25(29)30)28-16-21(17-28)31-15-6-5-10-20-13-12-19-9-7-14-26-24(19)27-20/h6,8,12,14-16,24,28H,3-5,7,9-11,13,17-20H2,1-2H3;2*5,7,10,13,15-16,23,26H,2-4,6,8-9,11-12,14,17-19H2,1H3,(H,30,31);2*9-12,15,22,24H,3-8,13-14,16-17H2,1-2H3,(H,27,28)(H,30,31);2*3-4,8,11-13,21,23H,2,5-7,9-10,14-17H2,1H3,(H,26,27)(H,29,30)/t24-,28?;2*26-;2*24-;2*23-/m1101010/s1.
What are the key properties of (2S)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one?
(2S)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one has a molecular weight of 3046.10 g/mol, XLogP of 30.65, 73 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethyl-4-methylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]azetidin-1-yl]acetic acid;(2S)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;(2R)-2-(2-ethylphenyl)-2-[3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]azetidin-1-yl]acetic acid;1-(2-methoxyphenyl)-1-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentoxy]pyrrolidin-1-yl]propan-2-one is sourced from PubChem (CID 158668631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158668631 — identifiers, structure, computed properties (public domain)
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