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

C13H14FNO5 — CID 66363950

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

2-[carboxymethyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid (PubChem CID 66363950) has the molecular formula C13H14FNO5 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-[carboxymethyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[carboxymethyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid
• PubChem CID: 66363950
• Molecular Formula: C13H14FNO5
• Molecular Weight: 283.25 g/mol
• Exact Mass: 283.09
• IUPAC Name: 2-[carboxymethyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid
• SMILES: O=C(O)CN(CC(=O)O)CC1Cc2cc(F)ccc2O1
• InChI: InChI=1S/C13H14FNO5/c14-9-1-2-11-8(3-9)4-10(20-11)5-15(6-12(16)17)7-13(18)19/h1-3,10H,4-7H2,(H,16,17)(H,18,19)
• InChIKey: KYPCGHRKHPKGSD-UHFFFAOYSA-N
• XLogP: 0.60
• TPSA: 87.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	283.25
LogP ≤ 5	0.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[carboxymethyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid (CID 66363950) is 2-[carboxymethyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid.

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

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

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

The InChIKey is KYPCGHRKHPKGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO5/c14-9-1-2-11-8(3-9)4-10(20-11)5-15(6-12(16)17)7-13(18)19/h1-3,10H,4-7H2,(H,16,17)(H,18,19).

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

2-[carboxymethyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid has a molecular weight of 283.25 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[carboxymethyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid is sourced from PubChem (CID 66363950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).