2-(ethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid

C14H19NO4 — CID 113291916

About 2-(ethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid

2-(ethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid (PubChem CID 113291916) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(ethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid.

Molecular Properties

• Compound Name: 2-(ethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
• PubChem CID: 113291916
• Molecular Formula: C14H19NO4
• Molecular Weight: 265.31 g/mol
• Exact Mass: 265.13
• IUPAC Name: 2-(ethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
• SMILES: CCNC(C(=O)O)c1cc2c(cc1OC)CC(C)O2
• InChI: InChI=1S/C14H19NO4/c1-4-15-13(14(16)17)10-7-11-9(5-8(2)19-11)6-12(10)18-3/h6-8,13,15H,4-5H2,1-3H3,(H,16,17)
• InChIKey: PLXSIARHPOHOIB-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 67.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	265.31
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid?

The IUPAC name of 2-(ethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid (CID 113291916) is 2-(ethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid.

What is the SMILES notation for 2-(ethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid?

The canonical SMILES for 2-(ethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid is CCNC(C(=O)O)c1cc2c(cc1OC)CC(C)O2.

What is the InChIKey of 2-(ethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid?

The InChIKey is PLXSIARHPOHOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-15-13(14(16)17)10-7-11-9(5-8(2)19-11)6-12(10)18-3/h6-8,13,15H,4-5H2,1-3H3,(H,16,17).

What are the key properties of 2-(ethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid?

2-(ethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(ethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid is sourced from PubChem (CID 113291916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).