(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;(1S)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1R)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one

C110H150N10O8 — CID 158001713

About (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;(1S)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1R)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one

(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;(1S)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1R)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one (PubChem CID 158001713) has the molecular formula C110H150N10O8 and a molecular weight of 1740.47 g/mol. Its IUPAC name is (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;(1S)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1R)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one.

Molecular Properties

• Compound Name: (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;(1S)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1R)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one
• PubChem CID: 158001713
• Molecular Formula: C110H150N10O8
• Molecular Weight: 1740.47 g/mol
• Exact Mass: 1739.16
• IUPAC Name: (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;(1S)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1R)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one
• SMILES: CC(=O)[C@@H](c1ccccc1)N1CC[C@@H](N(C)CCCCCc2ccc3c(n2)CCCC3)C1.CC(=O)[C@H](c1ccccc1)N1CC[C@@H](N(C)CCCCCc2ccc3c(n2)CCCC3)C1.CCc1ccccc1[C@@H](C(=O)O)N1CC(OCCCCCc2ccc3c(n2)CCCC3)C1.CCc1ccccc1[C@H](C(=O)O)N1CC(OCCCCCc2ccc3c(n2)CCCC3)C1
• InChI: InChI=1S/2C28H39N3O.2C27H36N2O3/c2*1-22(32)28(24-12-5-3-6-13-24)31-20-18-26(21-31)30(2)19-10-4-7-14-25-17-16-23-11-8-9-15-27(23)29-25;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/h2*3,5-6,12-13,16-17,26,28H,4,7-11,14-15,18-21H2,1-2H3;2*5,7,10,13,15-16,23,26H,2-4,6,8-9,11-12,14,17-19H2,1H3,(H,30,31)/t26-,28+;26-,28-;2*26-/m1110/s1
• InChIKey: FDURTKBLBNGRLB-OFQDOBKSSA-N
• XLogP: 19.54
• TPSA: 198.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 42
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1740.47
LogP ≤ 5	19.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

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-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;(1S)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1R)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one?

The IUPAC name of (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;(1S)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1R)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one (CID 158001713) is (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;(1S)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1R)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one.

What is the SMILES notation for (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;(1S)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1R)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one?

The canonical SMILES for (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;(1S)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1R)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one is CC(=O)[C@@H](c1ccccc1)N1CC[C@@H](N(C)CCCCCc2ccc3c(n2)CCCC3)C1.CC(=O)[C@H](c1ccccc1)N1CC[C@@H](N(C)CCCCCc2ccc3c(n2)CCCC3)C1.CCc1ccccc1[C@@H](C(=O)O)N1CC(OCCCCCc2ccc3c(n2)CCCC3)C1.CCc1ccccc1[C@H](C(=O)O)N1CC(OCCCCCc2ccc3c(n2)CCCC3)C1.

What is the InChIKey of (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;(1S)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1R)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one?

The InChIKey is FDURTKBLBNGRLB-OFQDOBKSSA-N. The full InChI is InChI=1S/2C28H39N3O.2C27H36N2O3/c2*1-22(32)28(24-12-5-3-6-13-24)31-20-18-26(21-31)30(2)19-10-4-7-14-25-17-16-23-11-8-9-15-27(23)29-25;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/h2*3,5-6,12-13,16-17,26,28H,4,7-11,14-15,18-21H2,1-2H3;2*5,7,10,13,15-16,23,26H,2-4,6,8-9,11-12,14,17-19H2,1H3,(H,30,31)/t26-,28+;26-,28-;2*26-/m1110/s1.

What are the key properties of (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;(1S)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1R)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one?

(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;(1S)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1R)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one has a molecular weight of 1740.47 g/mol, XLogP of 19.54, 42 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (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;(1S)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one;(1R)-1-[(3R)-3-[methyl-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]amino]pyrrolidin-1-yl]-1-phenylpropan-2-one is sourced from PubChem (CID 158001713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).