2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid

C₁₄H₁₉NO₄ — CID 112513636

About 2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid

2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid (PubChem CID 112513636) has the molecular formula C₁₄H₁₉NO₄ and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid.

Molecular Properties

• Compound Name: 2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid
• PubChem CID: 112513636
• Molecular Formula: C₁₄H₁₉NO₄
• Molecular Weight: 265.31 g/mol
• Exact Mass: 265.13
• IUPAC Name: 2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid
• SMILES: CCc1cc(CC(=O)NC(C)C(=O)O)ccc1OC
• InChI: InChI=1S/C14H19NO4/c1-4-11-7-10(5-6-12(11)19-3)8-13(16)15-9(2)14(17)18/h5-7,9H,4,8H2,1-3H3,(H,15,16)(H,17,18)
• InChIKey: VLGWZVOOYVCWHZ-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 75.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	265.31
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid?

The IUPAC name of 2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid (CID 112513636) is 2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid.

What is the SMILES notation for 2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid?

The canonical SMILES for 2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid is CCc1cc(CC(=O)NC(C)C(=O)O)ccc1OC.

What is the InChIKey of 2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid?

The InChIKey is VLGWZVOOYVCWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-11-7-10(5-6-12(11)19-3)8-13(16)15-9(2)14(17)18/h5-7,9H,4,8H2,1-3H3,(H,15,16)(H,17,18).

What are the key properties of 2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid?

2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 112513636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 112513636 — identifiers, structure, computed properties (public domain)

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