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

C11H12FNO4 — CID 107013327

IUPAC4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C11H12FNO4/c12-7-3-4-8(9(14)6-7)11(17)13-5-1-2-10(15)16/h3-4,6,14H,1-2,5H2,(H,13,17)(H,15,16)
InChIKeyOVOXYVUXLMGTNB-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.13
Rot. Bonds5

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

4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid (PubChem CID 107013327) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is 4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid
PubChem CID107013327
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C11H12FNO4/c12-7-3-4-8(9(14)6-7)11(17)13-5-1-2-10(15)16/h3-4,6,14H,1-2,5H2,(H,13,17)(H,15,16)
InChIKeyOVOXYVUXLMGTNB-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

4-[(2,4-dihydroxybenzoyl)amino]butanoic acid
CID 16796144
N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide
CID 107012875
4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide
CID 86814360
4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide
CID 103829717
4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 113304588
6-[(2-chloro-4-fluorobenzoyl)amino]hexanoic acid
CID 16782062
N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829625
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
N-(3-azidopropyl)-4-fluoro-2-hydroxybenzamide
CID 107016285
7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid
CID 62034426
N-(3-cyclopentylpropyl)-4-fluoro-2-hydroxybenzamide
CID 106011705
4-fluoro-2-hydroxy-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 103829912

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid?
The IUPAC name of 4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid (CID 107013327) is 4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid.
What is the SMILES notation for 4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid?
The canonical SMILES for 4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid is O=C(O)CCCNC(=O)c1ccc(F)cc1O.
What is the InChIKey of 4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid?
The InChIKey is OVOXYVUXLMGTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4/c12-7-3-4-8(9(14)6-7)11(17)13-5-1-2-10(15)16/h3-4,6,14H,1-2,5H2,(H,13,17)(H,15,16).
What are the key properties of 4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid?
4-[(4-fluoro-2-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-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 107013327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).