2-[4-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]morpholin-2-yl]acetic acid

C20H20N2O5 — CID 120527794

About 2-[4-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]morpholin-2-yl]acetic acid

2-[4-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 120527794) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[4-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[4-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]morpholin-2-yl]acetic acid
• PubChem CID: 120527794
• Molecular Formula: C20H20N2O5
• Molecular Weight: 368.39 g/mol
• Exact Mass: 368.14
• IUPAC Name: 2-[4-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]morpholin-2-yl]acetic acid
• SMILES: O=C(O)CC1CN(C(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)CCO1
• InChI: InChI=1S/C20H20N2O5/c23-19(24)9-17-12-22(4-6-26-17)20(25)16-8-15(10-21-11-16)13-1-2-18-14(7-13)3-5-27-18/h1-2,7-8,10-11,17H,3-6,9,12H2,(H,23,24)
• InChIKey: BTZSFZOPOJIKTD-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 88.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.39
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]morpholin-2-yl]acetic acid?

The IUPAC name of 2-[4-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]morpholin-2-yl]acetic acid (CID 120527794) is 2-[4-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]morpholin-2-yl]acetic acid.

What is the SMILES notation for 2-[4-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]morpholin-2-yl]acetic acid?

The canonical SMILES for 2-[4-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)CCO1.

What is the InChIKey of 2-[4-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]morpholin-2-yl]acetic acid?

The InChIKey is BTZSFZOPOJIKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c23-19(24)9-17-12-22(4-6-26-17)20(25)16-8-15(10-21-11-16)13-1-2-18-14(7-13)3-5-27-18/h1-2,7-8,10-11,17H,3-6,9,12H2,(H,23,24).

What are the key properties of 2-[4-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]morpholin-2-yl]acetic acid?

2-[4-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 368.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 120527794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).