4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid

C11H12FNO4 — CID 107013328

IUPAC4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1c(O)cccc1F
InChIInChI=1S/C11H12FNO4/c12-7-3-1-4-8(14)10(7)11(17)13-6-2-5-9(15)16/h1,3-4,14H,2,5-6H2,(H,13,17)(H,15,16)
InChIKeyJGTXYHKOHJGTHK-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.13
Rot. Bonds5

About 4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid

4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid (PubChem CID 107013328) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is 4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid
PubChem CID107013328
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1c(O)cccc1F
InChIInChI=1S/C11H12FNO4/c12-7-3-1-4-8(14)10(7)11(17)13-6-2-5-9(15)16/h1,3-4,14H,2,5-6H2,(H,13,17)(H,15,16)
InChIKeyJGTXYHKOHJGTHK-UHFFFAOYSA-N
XLogP1.13
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide
CID 107016848
N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide
CID 107321513
N-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide
CID 114008519
8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid
CID 10663193
N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide
CID 107016788
methyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate
CID 104916458
N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide
CID 104916529
N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide
CID 104916525
4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid
CID 107013327
4-[(3-bromo-2-fluorobenzoyl)amino]butanoic acid
CID 107948926
2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 5203738
2-fluoro-6-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide
CID 104920211

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid?
The IUPAC name of 4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid (CID 107013328) is 4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid is O=C(O)CCCNC(=O)c1c(O)cccc1F.
What is the InChIKey of 4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid?
The InChIKey is JGTXYHKOHJGTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4/c12-7-3-1-4-8(14)10(7)11(17)13-6-2-5-9(15)16/h1,3-4,14H,2,5-6H2,(H,13,17)(H,15,16).
What are the key properties of 4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid?
4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid has a molecular weight of 241.22 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 107013328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).