2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid

C11H12FNO4 — CID 81283075

IUPAC2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid
SMILESCOc1cc(C(=O)N(C)CC(=O)O)ccc1F
InChIInChI=1S/C11H12FNO4/c1-13(6-10(14)15)11(16)7-3-4-8(12)9(5-7)17-2/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyHTVSIBZIOQWOBF-UHFFFAOYSA-N
MW241.22 g/mol
LogP0.99
Rot. Bonds4

About 2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid

2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid (PubChem CID 81283075) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid
PubChem CID81283075
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid
SMILESCOc1cc(C(=O)N(C)CC(=O)O)ccc1F
InChIInChI=1S/C11H12FNO4/c1-13(6-10(14)15)11(16)7-3-4-8(12)9(5-7)17-2/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyHTVSIBZIOQWOBF-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

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Related Compounds

3-[(4-fluoro-3-methoxybenzoyl)-methylamino]propanoic acid
CID 81283720
2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetic acid
CID 110465928
2-[(4-fluoro-3-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 81283432
2-[[3-(difluoromethoxy)-4-methoxybenzoyl]-methylamino]acetic acid
CID 119171808
2-[cyclopropylmethyl-(4-fluoro-3-methoxybenzoyl)amino]acetic acid
CID 81283290
2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 81283722
2-[(3-chloro-4-fluorobenzoyl)-methylamino]acetic acid
CID 80502955
N-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107206607
2-[(3-methoxy-4-nitrobenzoyl)-methylamino]acetic acid
CID 115729869
methyl 4-[(4-fluoro-3-methoxybenzoyl)-methylamino]butanoate
CID 80980046
N-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide
CID 80960501
2-[[3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoyl]-methylamino]acetic acid
CID 119346726

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid?
The IUPAC name of 2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid (CID 81283075) is 2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid is COc1cc(C(=O)N(C)CC(=O)O)ccc1F.
What is the InChIKey of 2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid?
The InChIKey is HTVSIBZIOQWOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4/c1-13(6-10(14)15)11(16)7-3-4-8(12)9(5-7)17-2/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid?
2-[(4-fluoro-3-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-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid is sourced from PubChem (CID 81283075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).