3-(5-hydroxy-1H-indol-3-yl)-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid

C29H24N2O5 — CID 58677416

About 3-(5-hydroxy-1H-indol-3-yl)-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid

3-(5-hydroxy-1H-indol-3-yl)-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid (PubChem CID 58677416) has the molecular formula C29H24N2O5 and a molecular weight of 480.52 g/mol. Its IUPAC name is 3-(5-hydroxy-1H-indol-3-yl)-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid.

Molecular Properties

• Compound Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid
• PubChem CID: 58677416
• Molecular Formula: C29H24N2O5
• Molecular Weight: 480.52 g/mol
• Exact Mass: 480.17
• IUPAC Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid
• SMILES: O=C(NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O)c1ccc2cc(OCc3ccccc3)ccc2c1
• InChI: InChI=1S/C29H24N2O5/c32-23-9-11-26-25(15-23)22(16-30-26)14-27(29(34)35)31-28(33)21-7-6-20-13-24(10-8-19(20)12-21)36-17-18-4-2-1-3-5-18/h1-13,15-16,27,30,32H,14,17H2,(H,31,33)(H,34,35)
• InChIKey: YCQQEIMVQKRBCA-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 111.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.52
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-1H-indol-3-yl)-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid?

The IUPAC name of 3-(5-hydroxy-1H-indol-3-yl)-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid (CID 58677416) is 3-(5-hydroxy-1H-indol-3-yl)-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid.

What is the SMILES notation for 3-(5-hydroxy-1H-indol-3-yl)-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid?

The canonical SMILES for 3-(5-hydroxy-1H-indol-3-yl)-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid is O=C(NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O)c1ccc2cc(OCc3ccccc3)ccc2c1.

What is the InChIKey of 3-(5-hydroxy-1H-indol-3-yl)-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid?

The InChIKey is YCQQEIMVQKRBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O5/c32-23-9-11-26-25(15-23)22(16-30-26)14-27(29(34)35)31-28(33)21-7-6-20-13-24(10-8-19(20)12-21)36-17-18-4-2-1-3-5-18/h1-13,15-16,27,30,32H,14,17H2,(H,31,33)(H,34,35).

What are the key properties of 3-(5-hydroxy-1H-indol-3-yl)-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid?

3-(5-hydroxy-1H-indol-3-yl)-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid has a molecular weight of 480.52 g/mol, XLogP of 5.03, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-hydroxy-1H-indol-3-yl)-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 58677416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).