3-[3-[[(2R)-2-cyclopentyl-2-[4-(6-methyl-3-pyridinyl)phenyl]acetyl]amino]-2-methylphenyl]propanoic acid

C29H32N2O3 — CID 121417304

About 3-[3-[[(2R)-2-cyclopentyl-2-[4-(6-methyl-3-pyridinyl)phenyl]acetyl]amino]-2-methylphenyl]propanoic acid

3-[3-[[(2R)-2-cyclopentyl-2-[4-(6-methyl-3-pyridinyl)phenyl]acetyl]amino]-2-methylphenyl]propanoic acid (PubChem CID 121417304) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is 3-[3-[[(2R)-2-cyclopentyl-2-[4-(6-methyl-3-pyridinyl)phenyl]acetyl]amino]-2-methylphenyl]propanoic acid.

Molecular Properties

• Compound Name: 3-[3-[[(2R)-2-cyclopentyl-2-[4-(6-methyl-3-pyridinyl)phenyl]acetyl]amino]-2-methylphenyl]propanoic acid
• PubChem CID: 121417304
• Molecular Formula: C29H32N2O3
• Molecular Weight: 456.59 g/mol
• Exact Mass: 456.24
• IUPAC Name: 3-[3-[[(2R)-2-cyclopentyl-2-[4-(6-methyl-3-pyridinyl)phenyl]acetyl]amino]-2-methylphenyl]propanoic acid
• SMILES: Cc1ccc(-c2ccc([C@H](C(=O)Nc3cccc(CCC(=O)O)c3C)C3CCCC3)cc2)cn1
• InChI: InChI=1S/C29H32N2O3/c1-19-10-11-25(18-30-19)22-12-14-24(15-13-22)28(23-6-3-4-7-23)29(34)31-26-9-5-8-21(20(26)2)16-17-27(32)33/h5,8-15,18,23,28H,3-4,6-7,16-17H2,1-2H3,(H,31,34)(H,32,33)/t28-/m1/s1
• InChIKey: DMZUAELZDQPIBP-MUUNZHRXSA-N
• XLogP: 6.30
• TPSA: 79.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.59
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(2R)-2-cyclopentyl-2-[4-(6-methyl-3-pyridinyl)phenyl]acetyl]amino]-2-methylphenyl]propanoic acid?

The IUPAC name of 3-[3-[[(2R)-2-cyclopentyl-2-[4-(6-methyl-3-pyridinyl)phenyl]acetyl]amino]-2-methylphenyl]propanoic acid (CID 121417304) is 3-[3-[[(2R)-2-cyclopentyl-2-[4-(6-methyl-3-pyridinyl)phenyl]acetyl]amino]-2-methylphenyl]propanoic acid.

What is the SMILES notation for 3-[3-[[(2R)-2-cyclopentyl-2-[4-(6-methyl-3-pyridinyl)phenyl]acetyl]amino]-2-methylphenyl]propanoic acid?

The canonical SMILES for 3-[3-[[(2R)-2-cyclopentyl-2-[4-(6-methyl-3-pyridinyl)phenyl]acetyl]amino]-2-methylphenyl]propanoic acid is Cc1ccc(-c2ccc([C@H](C(=O)Nc3cccc(CCC(=O)O)c3C)C3CCCC3)cc2)cn1.

What is the InChIKey of 3-[3-[[(2R)-2-cyclopentyl-2-[4-(6-methyl-3-pyridinyl)phenyl]acetyl]amino]-2-methylphenyl]propanoic acid?

The InChIKey is DMZUAELZDQPIBP-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H32N2O3/c1-19-10-11-25(18-30-19)22-12-14-24(15-13-22)28(23-6-3-4-7-23)29(34)31-26-9-5-8-21(20(26)2)16-17-27(32)33/h5,8-15,18,23,28H,3-4,6-7,16-17H2,1-2H3,(H,31,34)(H,32,33)/t28-/m1/s1.

What are the key properties of 3-[3-[[(2R)-2-cyclopentyl-2-[4-(6-methyl-3-pyridinyl)phenyl]acetyl]amino]-2-methylphenyl]propanoic acid?

3-[3-[[(2R)-2-cyclopentyl-2-[4-(6-methyl-3-pyridinyl)phenyl]acetyl]amino]-2-methylphenyl]propanoic acid has a molecular weight of 456.59 g/mol, XLogP of 6.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[[(2R)-2-cyclopentyl-2-[4-(6-methyl-3-pyridinyl)phenyl]acetyl]amino]-2-methylphenyl]propanoic acid is sourced from PubChem (CID 121417304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).