2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid

C₁₅H₁₈N₂O₄ — CID 119187860

About 2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid

2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid (PubChem CID 119187860) has the molecular formula C₁₅H₁₈N₂O₄ and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

• Compound Name: 2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid
• PubChem CID: 119187860
• Molecular Formula: C₁₅H₁₈N₂O₄
• Molecular Weight: 290.32 g/mol
• Exact Mass: 290.13
• IUPAC Name: 2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid
• SMILES: CC(C)(NC(=O)CN1C(=O)CCc2ccccc21)C(=O)O
• InChI: InChI=1S/C15H18N2O4/c1-15(2,14(20)21)16-12(18)9-17-11-6-4-3-5-10(11)7-8-13(17)19/h3-6H,7-9H2,1-2H3,(H,16,18)(H,20,21)
• InChIKey: HJYGUWXMIXPZEL-UHFFFAOYSA-N
• XLogP: 0.95
• TPSA: 86.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.32
LogP ≤ 5	0.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid?

The IUPAC name of 2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid (CID 119187860) is 2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid.

What is the SMILES notation for 2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid?

The canonical SMILES for 2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid is CC(C)(NC(=O)CN1C(=O)CCc2ccccc21)C(=O)O.

What is the InChIKey of 2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid?

The InChIKey is HJYGUWXMIXPZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-15(2,14(20)21)16-12(18)9-17-11-6-4-3-5-10(11)7-8-13(17)19/h3-6H,7-9H2,1-2H3,(H,16,18)(H,20,21).

What are the key properties of 2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid?

2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 290.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119187860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 119187860 — identifiers, structure, computed properties (public domain)

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