5-fluoro-2-(4-hydroxypentylamino)benzoic acid

C12H16FNO3 — CID 106137596

IUPAC5-fluoro-2-(4-hydroxypentylamino)benzoic acid
SMILESCC(O)CCCNc1ccc(F)cc1C(=O)O
InChIInChI=1S/C12H16FNO3/c1-8(15)3-2-6-14-11-5-4-9(13)7-10(11)12(16)17/h4-5,7-8,14-15H,2-3,6H2,1H3,(H,16,17)
InChIKeyRZBZVDJEPBLYLK-UHFFFAOYSA-N
MW241.26 g/mol
LogP2.10
Rot. Bonds6

About 5-fluoro-2-(4-hydroxypentylamino)benzoic acid

5-fluoro-2-(4-hydroxypentylamino)benzoic acid (PubChem CID 106137596) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 5-fluoro-2-(4-hydroxypentylamino)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(4-hydroxypentylamino)benzoic acid
PubChem CID106137596
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name5-fluoro-2-(4-hydroxypentylamino)benzoic acid
SMILESCC(O)CCCNc1ccc(F)cc1C(=O)O
InChIInChI=1S/C12H16FNO3/c1-8(15)3-2-6-14-11-5-4-9(13)7-10(11)12(16)17/h4-5,7-8,14-15H,2-3,6H2,1H3,(H,16,17)
InChIKeyRZBZVDJEPBLYLK-UHFFFAOYSA-N
XLogP2.10
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 52.10
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

5-fluoro-2-(4-methylpentylamino)benzoic acid
CID 63672827
5-fluoro-2-(2-propan-2-yloxyethylamino)benzoic acid
CID 104765923
5-fluoro-2-[(3-hydroxy-4-methoxybutyl)amino]benzoic acid
CID 106248539
2-(4-hydroxypentylamino)-4-methylbenzoic acid
CID 106136495
5-fluoro-2-(4-hydroxypentylamino)benzonitrile
CID 107269158
4-(4-hydroxypentylamino)pyridine-3-carboxylic acid
CID 106136496
2-(3-cyclopentylpropylamino)-5-fluorobenzoic acid
CID 114136458
2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid
CID 63675024
5-fluoro-2-(prop-2-ynylamino)benzoic acid
CID 63674509
5-fluoro-2-(4-methylpentanoylamino)benzoic acid
CID 28544126
1-[5-fluoro-2-(2-hydroxyethylamino)phenyl]ethanone
CID 130609429
5-fluoro-2-(3-methylbut-2-enylamino)benzoic acid
CID 106197911

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-hydroxypentylamino)benzoic acid?
The IUPAC name of 5-fluoro-2-(4-hydroxypentylamino)benzoic acid (CID 106137596) is 5-fluoro-2-(4-hydroxypentylamino)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(4-hydroxypentylamino)benzoic acid?
The canonical SMILES for 5-fluoro-2-(4-hydroxypentylamino)benzoic acid is CC(O)CCCNc1ccc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-(4-hydroxypentylamino)benzoic acid?
The InChIKey is RZBZVDJEPBLYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-8(15)3-2-6-14-11-5-4-9(13)7-10(11)12(16)17/h4-5,7-8,14-15H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 5-fluoro-2-(4-hydroxypentylamino)benzoic acid?
5-fluoro-2-(4-hydroxypentylamino)benzoic acid has a molecular weight of 241.26 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-hydroxypentylamino)benzoic acid is sourced from PubChem (CID 106137596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).