2-[2-methoxyethyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid

C15H21NO4 — CID 66362363

About 2-[2-methoxyethyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid

2-[2-methoxyethyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid (PubChem CID 66362363) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[2-methoxyethyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid
• PubChem CID: 66362363
• Molecular Formula: C15H21NO4
• Molecular Weight: 279.34 g/mol
• Exact Mass: 279.15
• IUPAC Name: 2-[2-methoxyethyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid
• SMILES: COCCN(CC(=O)O)CC1Cc2cc(C)ccc2O1
• InChI: InChI=1S/C15H21NO4/c1-11-3-4-14-12(7-11)8-13(20-14)9-16(5-6-19-2)10-15(17)18/h3-4,7,13H,5-6,8-10H2,1-2H3,(H,17,18)
• InChIKey: NCCFNXQVZVTTMQ-UHFFFAOYSA-N
• XLogP: 1.33
• TPSA: 59.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	279.34
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid?

The IUPAC name of 2-[2-methoxyethyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid (CID 66362363) is 2-[2-methoxyethyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid.

What is the SMILES notation for 2-[2-methoxyethyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid?

The canonical SMILES for 2-[2-methoxyethyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid is COCCN(CC(=O)O)CC1Cc2cc(C)ccc2O1.

What is the InChIKey of 2-[2-methoxyethyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid?

The InChIKey is NCCFNXQVZVTTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11-3-4-14-12(7-11)8-13(20-14)9-16(5-6-19-2)10-15(17)18/h3-4,7,13H,5-6,8-10H2,1-2H3,(H,17,18).

What are the key properties of 2-[2-methoxyethyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid?

2-[2-methoxyethyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methoxyethyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid is sourced from PubChem (CID 66362363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).