2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid

C10H10FNO4 — CID 107013339

IUPAC2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ccc(F)cc1O
InChIInChI=1S/C10H10FNO4/c1-12(5-9(14)15)10(16)7-3-2-6(11)4-8(7)13/h2-4,13H,5H2,1H3,(H,14,15)
InChIKeyQOHMKUDSQVHQCL-UHFFFAOYSA-N
MW227.19 g/mol
LogP0.69
Rot. Bonds3

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

2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid (PubChem CID 107013339) has the molecular formula C10H10FNO4 and a molecular weight of 227.19 g/mol. Its IUPAC name is 2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid
PubChem CID107013339
Molecular FormulaC10H10FNO4
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ccc(F)cc1O
InChIInChI=1S/C10H10FNO4/c1-12(5-9(14)15)10(16)7-3-2-6(11)4-8(7)13/h2-4,13H,5H2,1H3,(H,14,15)
InChIKeyQOHMKUDSQVHQCL-UHFFFAOYSA-N
XLogP0.69
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-hydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 113304528
4-fluoro-2-hydroxy-N-methyl-N-prop-2-ynylbenzamide
CID 103527334
2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid
CID 24711323
N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829638
N-(2-bromopropyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 107016758
4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103829572
ethyl 3-[(4-fluoro-2-hydroxybenzoyl)-methylamino]propanoate
CID 103829871
4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103863065
4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 103829573
4-fluoro-2-hydroxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 103829866
methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate
CID 115298884
4-fluoro-2-hydroxy-N-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 107016017

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid?
The IUPAC name of 2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid (CID 107013339) is 2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)c1ccc(F)cc1O.
What is the InChIKey of 2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid?
The InChIKey is QOHMKUDSQVHQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO4/c1-12(5-9(14)15)10(16)7-3-2-6(11)4-8(7)13/h2-4,13H,5H2,1H3,(H,14,15).
What are the key properties of 2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid?
2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid has a molecular weight of 227.19 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid is sourced from PubChem (CID 107013339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).