4-cyclopentyl-2-(1H-indol-3-yl)butanoic acid;3-cyclopentyl-2-(1H-indol-3-yl)propanoic acid;2-(1H-indol-3-yl)-4-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]butanoic acid;2-(1H-indol-3-yl)-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid;2-(1H-indol-3-yl)-4-phenylbutanoic acid

C91H111N5O15 — CID 158944520

About 4-cyclopentyl-2-(1H-indol-3-yl)butanoic acid;3-cyclopentyl-2-(1H-indol-3-yl)propanoic acid;2-(1H-indol-3-yl)-4-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]butanoic acid;2-(1H-indol-3-yl)-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid;2-(1H-indol-3-yl)-4-phenylbutanoic acid

4-cyclopentyl-2-(1H-indol-3-yl)butanoic acid;3-cyclopentyl-2-(1H-indol-3-yl)propanoic acid;2-(1H-indol-3-yl)-4-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]butanoic acid;2-(1H-indol-3-yl)-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid;2-(1H-indol-3-yl)-4-phenylbutanoic acid (PubChem CID 158944520) has the molecular formula C91H111N5O15 and a molecular weight of 1514.91 g/mol. Its IUPAC name is 4-cyclopentyl-2-(1H-indol-3-yl)butanoic acid;3-cyclopentyl-2-(1H-indol-3-yl)propanoic acid;2-(1H-indol-3-yl)-4-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]butanoic acid;2-(1H-indol-3-yl)-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid;2-(1H-indol-3-yl)-4-phenylbutanoic acid.

Molecular Properties

• Compound Name: 4-cyclopentyl-2-(1H-indol-3-yl)butanoic acid;3-cyclopentyl-2-(1H-indol-3-yl)propanoic acid;2-(1H-indol-3-yl)-4-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]butanoic acid;2-(1H-indol-3-yl)-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid;2-(1H-indol-3-yl)-4-phenylbutanoic acid
• PubChem CID: 158944520
• Molecular Formula: C91H111N5O15
• Molecular Weight: 1514.91 g/mol
• Exact Mass: 1513.81
• IUPAC Name: 4-cyclopentyl-2-(1H-indol-3-yl)butanoic acid;3-cyclopentyl-2-(1H-indol-3-yl)propanoic acid;2-(1H-indol-3-yl)-4-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]butanoic acid;2-(1H-indol-3-yl)-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid;2-(1H-indol-3-yl)-4-phenylbutanoic acid
• SMILES: CC(C)(C)OC(=O)CCCCCC(C(=O)O)c1c[nH]c2ccccc12.CC(C)(C)OC(=O)CCCOCCC(C(=O)O)c1c[nH]c2ccccc12.O=C(O)C(CC1CCCC1)c1c[nH]c2ccccc12.O=C(O)C(CCC1CCCC1)c1c[nH]c2ccccc12.O=C(O)C(CCc1ccccc1)c1c[nH]c2ccccc12
• InChI: InChI=1S/C20H27NO5.C20H27NO4.C18H17NO2.C17H21NO2.C16H19NO2/c1-20(2,3)26-18(22)9-6-11-25-12-10-15(19(23)24)16-13-21-17-8-5-4-7-14(16)17;1-20(2,3)25-18(22)12-6-4-5-10-15(19(23)24)16-13-21-17-11-8-7-9-14(16)17;20-18(21)15(11-10-13-6-2-1-3-7-13)16-12-19-17-9-5-4-8-14(16)17;19-17(20)14(10-9-12-5-1-2-6-12)15-11-18-16-8-4-3-7-13(15)16;18-16(19)13(9-11-5-1-2-6-11)14-10-17-15-8-4-3-7-12(14)15/h4-5,7-8,13,15,21H,6,9-12H2,1-3H3,(H,23,24);7-9,11,13,15,21H,4-6,10,12H2,1-3H3,(H,23,24);1-9,12,15,19H,10-11H2,(H,20,21);3-4,7-8,11-12,14,18H,1-2,5-6,9-10H2,(H,19,20);3-4,7-8,10-11,13,17H,1-2,5-6,9H2,(H,18,19)
• InChIKey: JKQRHURGKQUXLH-UHFFFAOYSA-N
• XLogP: 20.68
• TPSA: 327.28 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 10
• Rotatable Bonds: 31
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1514.91
LogP ≤ 5	20.68
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(1H-indol-3-yl)butanoic acid;3-cyclopentyl-2-(1H-indol-3-yl)propanoic acid;2-(1H-indol-3-yl)-4-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]butanoic acid;2-(1H-indol-3-yl)-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid;2-(1H-indol-3-yl)-4-phenylbutanoic acid?

The IUPAC name of 4-cyclopentyl-2-(1H-indol-3-yl)butanoic acid;3-cyclopentyl-2-(1H-indol-3-yl)propanoic acid;2-(1H-indol-3-yl)-4-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]butanoic acid;2-(1H-indol-3-yl)-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid;2-(1H-indol-3-yl)-4-phenylbutanoic acid (CID 158944520) is 4-cyclopentyl-2-(1H-indol-3-yl)butanoic acid;3-cyclopentyl-2-(1H-indol-3-yl)propanoic acid;2-(1H-indol-3-yl)-4-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]butanoic acid;2-(1H-indol-3-yl)-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid;2-(1H-indol-3-yl)-4-phenylbutanoic acid.

What is the SMILES notation for 4-cyclopentyl-2-(1H-indol-3-yl)butanoic acid;3-cyclopentyl-2-(1H-indol-3-yl)propanoic acid;2-(1H-indol-3-yl)-4-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]butanoic acid;2-(1H-indol-3-yl)-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid;2-(1H-indol-3-yl)-4-phenylbutanoic acid?

The canonical SMILES for 4-cyclopentyl-2-(1H-indol-3-yl)butanoic acid;3-cyclopentyl-2-(1H-indol-3-yl)propanoic acid;2-(1H-indol-3-yl)-4-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]butanoic acid;2-(1H-indol-3-yl)-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid;2-(1H-indol-3-yl)-4-phenylbutanoic acid is CC(C)(C)OC(=O)CCCCCC(C(=O)O)c1c[nH]c2ccccc12.CC(C)(C)OC(=O)CCCOCCC(C(=O)O)c1c[nH]c2ccccc12.O=C(O)C(CC1CCCC1)c1c[nH]c2ccccc12.O=C(O)C(CCC1CCCC1)c1c[nH]c2ccccc12.O=C(O)C(CCc1ccccc1)c1c[nH]c2ccccc12.

What is the InChIKey of 4-cyclopentyl-2-(1H-indol-3-yl)butanoic acid;3-cyclopentyl-2-(1H-indol-3-yl)propanoic acid;2-(1H-indol-3-yl)-4-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]butanoic acid;2-(1H-indol-3-yl)-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid;2-(1H-indol-3-yl)-4-phenylbutanoic acid?

The InChIKey is JKQRHURGKQUXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO5.C20H27NO4.C18H17NO2.C17H21NO2.C16H19NO2/c1-20(2,3)26-18(22)9-6-11-25-12-10-15(19(23)24)16-13-21-17-8-5-4-7-14(16)17;1-20(2,3)25-18(22)12-6-4-5-10-15(19(23)24)16-13-21-17-11-8-7-9-14(16)17;20-18(21)15(11-10-13-6-2-1-3-7-13)16-12-19-17-9-5-4-8-14(16)17;19-17(20)14(10-9-12-5-1-2-6-12)15-11-18-16-8-4-3-7-13(15)16;18-16(19)13(9-11-5-1-2-6-11)14-10-17-15-8-4-3-7-12(14)15/h4-5,7-8,13,15,21H,6,9-12H2,1-3H3,(H,23,24);7-9,11,13,15,21H,4-6,10,12H2,1-3H3,(H,23,24);1-9,12,15,19H,10-11H2,(H,20,21);3-4,7-8,11-12,14,18H,1-2,5-6,9-10H2,(H,19,20);3-4,7-8,10-11,13,17H,1-2,5-6,9H2,(H,18,19).

What are the key properties of 4-cyclopentyl-2-(1H-indol-3-yl)butanoic acid;3-cyclopentyl-2-(1H-indol-3-yl)propanoic acid;2-(1H-indol-3-yl)-4-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]butanoic acid;2-(1H-indol-3-yl)-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid;2-(1H-indol-3-yl)-4-phenylbutanoic acid?

4-cyclopentyl-2-(1H-indol-3-yl)butanoic acid;3-cyclopentyl-2-(1H-indol-3-yl)propanoic acid;2-(1H-indol-3-yl)-4-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]butanoic acid;2-(1H-indol-3-yl)-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid;2-(1H-indol-3-yl)-4-phenylbutanoic acid has a molecular weight of 1514.91 g/mol, XLogP of 20.68, 31 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopentyl-2-(1H-indol-3-yl)butanoic acid;3-cyclopentyl-2-(1H-indol-3-yl)propanoic acid;2-(1H-indol-3-yl)-4-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]butanoic acid;2-(1H-indol-3-yl)-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid;2-(1H-indol-3-yl)-4-phenylbutanoic acid is sourced from PubChem (CID 158944520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).