2-[cyclopropyl-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]propanoic acid

C20H20N2O4 — CID 120519337

About 2-[cyclopropyl-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]propanoic acid

2-[cyclopropyl-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]propanoic acid (PubChem CID 120519337) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[cyclopropyl-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]propanoic acid.

Molecular Properties

• Compound Name: 2-[cyclopropyl-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]propanoic acid
• PubChem CID: 120519337
• Molecular Formula: C20H20N2O4
• Molecular Weight: 352.39 g/mol
• Exact Mass: 352.14
• IUPAC Name: 2-[cyclopropyl-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]propanoic acid
• SMILES: CC(C(=O)O)N(C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)C1CC1
• InChI: InChI=1S/C20H20N2O4/c1-12(20(24)25)22(17-3-4-17)19(23)16-9-15(10-21-11-16)13-2-5-18-14(8-13)6-7-26-18/h2,5,8-12,17H,3-4,6-7H2,1H3,(H,24,25)
• InChIKey: DUAGUBGMJCSWEF-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 79.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.39
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]propanoic acid?

The IUPAC name of 2-[cyclopropyl-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]propanoic acid (CID 120519337) is 2-[cyclopropyl-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]propanoic acid.

What is the SMILES notation for 2-[cyclopropyl-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]propanoic acid?

The canonical SMILES for 2-[cyclopropyl-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]propanoic acid is CC(C(=O)O)N(C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)C1CC1.

What is the InChIKey of 2-[cyclopropyl-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]propanoic acid?

The InChIKey is DUAGUBGMJCSWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-12(20(24)25)22(17-3-4-17)19(23)16-9-15(10-21-11-16)13-2-5-18-14(8-13)6-7-26-18/h2,5,8-12,17H,3-4,6-7H2,1H3,(H,24,25).

What are the key properties of 2-[cyclopropyl-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]propanoic acid?

2-[cyclopropyl-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]propanoic acid has a molecular weight of 352.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopropyl-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 120519337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).