(2S)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1R)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1S)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid

C162H210N14O18 — CID 158053339

About (2S)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1R)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1S)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid

(2S)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1R)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1S)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid (PubChem CID 158053339) has the molecular formula C162H210N14O18 and a molecular weight of 2641.54 g/mol. Its IUPAC name is (2S)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1R)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1S)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid.

Molecular Properties

• Compound Name: (2S)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1R)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1S)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid
• PubChem CID: 158053339
• Molecular Formula: C162H210N14O18
• Molecular Weight: 2641.54 g/mol
• Exact Mass: 2639.59
• IUPAC Name: (2S)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1R)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1S)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid
• SMILES: CC(=O)[C@@H](c1ccccc1)N1CC[C@@H](OCCCCc2cc(C)c3c(n2)CCCC3)C1.CC(=O)[C@H](c1ccccc1)N1CC[C@@H](OCCCCc2cc(C)c3c(n2)CCCC3)C1.O=C(O)[C@@H](c1ccc(OC2CC2)cc1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@@H](c1ccccc1)N1CC[C@@H](OC2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccc(OC2CC2)cc1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1ccccc1)N1CC[C@@H](OC2CCC(c3ccc4c(n3)CCCC4)CC2)C1
• InChI: InChI=1S/2C27H35N3O4.2C27H34N2O3.2C27H36N2O2/c2*31-27(32)25(19-7-10-22(11-8-19)34-23-12-13-23)30-16-14-24(18-30)33-17-2-1-5-21-9-6-20-4-3-15-28-26(20)29-21;2*30-27(31)26(21-7-2-1-3-8-21)29-17-16-23(18-29)32-22-13-10-20(11-14-22)25-15-12-19-6-4-5-9-24(19)28-25;2*1-20-18-23(28-26-14-7-6-13-25(20)26)12-8-9-17-31-24-15-16-29(19-24)27(21(2)30)22-10-4-3-5-11-22/h2*6-11,23-25H,1-5,12-18H2,(H,28,29)(H,31,32);2*1-3,7-8,12,15,20,22-23,26H,4-6,9-11,13-14,16-18H2,(H,30,31);2*3-5,10-11,18,24,27H,6-9,12-17,19H2,1-2H3/t24-,25+;24-,25-;20?,22?,23-,26+;20?,22?,23-,26-;24-,27+;24-,27-/m111111/s1
• InChIKey: FJTANWYONFYZPP-AQHBBPPCSA-N
• XLogP: 28.27
• TPSA: 378.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 52
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2641.54
LogP ≤ 5	28.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1R)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1S)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid?

The IUPAC name of (2S)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1R)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1S)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid (CID 158053339) is (2S)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1R)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1S)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid.

What is the SMILES notation for (2S)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1R)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1S)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid?

The canonical SMILES for (2S)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1R)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1S)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid is CC(=O)[C@@H](c1ccccc1)N1CC[C@@H](OCCCCc2cc(C)c3c(n2)CCCC3)C1.CC(=O)[C@H](c1ccccc1)N1CC[C@@H](OCCCCc2cc(C)c3c(n2)CCCC3)C1.O=C(O)[C@@H](c1ccc(OC2CC2)cc1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@@H](c1ccccc1)N1CC[C@@H](OC2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccc(OC2CC2)cc1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.O=C(O)[C@H](c1ccccc1)N1CC[C@@H](OC2CCC(c3ccc4c(n3)CCCC4)CC2)C1.

What is the InChIKey of (2S)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1R)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1S)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid?

The InChIKey is FJTANWYONFYZPP-AQHBBPPCSA-N. The full InChI is InChI=1S/2C27H35N3O4.2C27H34N2O3.2C27H36N2O2/c2*31-27(32)25(19-7-10-22(11-8-19)34-23-12-13-23)30-16-14-24(18-30)33-17-2-1-5-21-9-6-20-4-3-15-28-26(20)29-21;2*30-27(31)26(21-7-2-1-3-8-21)29-17-16-23(18-29)32-22-13-10-20(11-14-22)25-15-12-19-6-4-5-9-24(19)28-25;2*1-20-18-23(28-26-14-7-6-13-25(20)26)12-8-9-17-31-24-15-16-29(19-24)27(21(2)30)22-10-4-3-5-11-22/h2*6-11,23-25H,1-5,12-18H2,(H,28,29)(H,31,32);2*1-3,7-8,12,15,20,22-23,26H,4-6,9-11,13-14,16-18H2,(H,30,31);2*3-5,10-11,18,24,27H,6-9,12-17,19H2,1-2H3/t24-,25+;24-,25-;20?,22?,23-,26+;20?,22?,23-,26-;24-,27+;24-,27-/m111111/s1.

What are the key properties of (2S)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1R)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1S)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid?

(2S)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1R)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1S)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid has a molecular weight of 2641.54 g/mol, XLogP of 28.27, 52 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-cyclopropyloxyphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(1R)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1S)-1-[(3R)-3-[4-(4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]-1-phenylpropan-2-one;(2S)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid;(2R)-2-phenyl-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)cyclohexyl]oxypyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 158053339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).