2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid

C13H12FNO4 — CID 43241803

IUPAC2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
SMILESCc1c(C(=O)N(C)CC(=O)O)oc2ccc(F)cc12
InChIInChI=1S/C13H12FNO4/c1-7-9-5-8(14)3-4-10(9)19-12(7)13(18)15(2)6-11(16)17/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyKUYNUZKSQQQZNV-UHFFFAOYSA-N
MW265.24 g/mol
LogP2.04
Rot. Bonds3

About 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid

2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid (PubChem CID 43241803) has the molecular formula C13H12FNO4 and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
PubChem CID43241803
Molecular FormulaC13H12FNO4
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Name2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
SMILESCc1c(C(=O)N(C)CC(=O)O)oc2ccc(F)cc12
InChIInChI=1S/C13H12FNO4/c1-7-9-5-8(14)3-4-10(9)19-12(7)13(18)15(2)6-11(16)17/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyKUYNUZKSQQQZNV-UHFFFAOYSA-N
XLogP2.04
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid (CID 43241803) is 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid is Cc1c(C(=O)N(C)CC(=O)O)oc2ccc(F)cc12.
What is the InChIKey of 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid?
The InChIKey is KUYNUZKSQQQZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4/c1-7-9-5-8(14)3-4-10(9)19-12(7)13(18)15(2)6-11(16)17/h3-5H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid?
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid has a molecular weight of 265.24 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 43241803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).