2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid

C11H12FNO4 — CID 65432822

IUPAC2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid
SMILESCOc1cccc(F)c1C(=O)N(C)CC(=O)O
InChIInChI=1S/C11H12FNO4/c1-13(6-9(14)15)11(16)10-7(12)4-3-5-8(10)17-2/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyNJHNRAIAIOYYID-UHFFFAOYSA-N
MW241.22 g/mol
LogP0.99
Rot. Bonds4

About 2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid

2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid (PubChem CID 65432822) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is 2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid
PubChem CID65432822
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid
SMILESCOc1cccc(F)c1C(=O)N(C)CC(=O)O
InChIInChI=1S/C11H12FNO4/c1-13(6-9(14)15)11(16)10-7(12)4-3-5-8(10)17-2/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyNJHNRAIAIOYYID-UHFFFAOYSA-N
XLogP0.99
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-fluoro-6-methoxybenzoyl)-methylamino]propanoic acid
CID 65432056
2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 65434755
2-[butan-2-yl-(2-fluoro-6-methoxybenzoyl)amino]acetic acid
CID 65432054
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide
CID 115760198
3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid
CID 65434561
2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid
CID 81283075
2-[(2-fluoro-4,5-dimethoxybenzoyl)-methylamino]acetic acid
CID 119346216
3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid
CID 65434948
N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide
CID 65434746
2-[(3-fluoro-2-methylbenzoyl)-methylamino]acetic acid
CID 122107124
ethyl 2-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]acetate
CID 65434241
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid (CID 65432822) is 2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid is COc1cccc(F)c1C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid?
The InChIKey is NJHNRAIAIOYYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4/c1-13(6-9(14)15)11(16)10-7(12)4-3-5-8(10)17-2/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid?
2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid has a molecular weight of 241.22 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid is sourced from PubChem (CID 65432822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).