3-fluoro-5-(2-hydroxypropylamino)benzoic acid

C10H12FNO3 — CID 82539772

IUPAC3-fluoro-5-(2-hydroxypropylamino)benzoic acid
SMILESCC(O)CNc1cc(F)cc(C(=O)O)c1
InChIInChI=1S/C10H12FNO3/c1-6(13)5-12-9-3-7(10(14)15)2-8(11)4-9/h2-4,6,12-13H,5H2,1H3,(H,14,15)
InChIKeyCWKCNWNHEIKRFF-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.32
Rot. Bonds4

About 3-fluoro-5-(2-hydroxypropylamino)benzoic acid

3-fluoro-5-(2-hydroxypropylamino)benzoic acid (PubChem CID 82539772) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 3-fluoro-5-(2-hydroxypropylamino)benzoic acid.

Molecular Properties

Compound Name3-fluoro-5-(2-hydroxypropylamino)benzoic acid
PubChem CID82539772
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name3-fluoro-5-(2-hydroxypropylamino)benzoic acid
SMILESCC(O)CNc1cc(F)cc(C(=O)O)c1
InChIInChI=1S/C10H12FNO3/c1-6(13)5-12-9-3-7(10(14)15)2-8(11)4-9/h2-4,6,12-13H,5H2,1H3,(H,14,15)
InChIKeyCWKCNWNHEIKRFF-UHFFFAOYSA-N
XLogP1.32
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluoroanilino)propan-2-ol
CID 60886197
(2R)-1-(3-fluoro-5-methylanilino)propan-2-ol
CID 106932274
3-(1-carboxyethylamino)-5-fluorobenzoic acid
CID 82539663
3-fluoro-5-[(1-propan-2-ylimidazol-2-yl)methylamino]benzoic acid
CID 167949777
3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride
CID 47002202
1-(3,5-difluoroanilino)butan-2-ol
CID 60885411
1-[3-(ethylamino)-5-fluorophenyl]ethanone
CID 82535672
2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide
CID 28584200
1-(3,5-dimethylanilino)propan-2-ol
CID 60886004
3-fluoro-5-methyl-N-(2-methylpropyl)aniline
CID 75356152
4-chloro-3-(2-hydroxypropylamino)benzoic acid
CID 82539769
3-(3-hydroxybutylamino)benzoic acid
CID 102823082

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2-hydroxypropylamino)benzoic acid?
The IUPAC name of 3-fluoro-5-(2-hydroxypropylamino)benzoic acid (CID 82539772) is 3-fluoro-5-(2-hydroxypropylamino)benzoic acid.
What is the SMILES notation for 3-fluoro-5-(2-hydroxypropylamino)benzoic acid?
The canonical SMILES for 3-fluoro-5-(2-hydroxypropylamino)benzoic acid is CC(O)CNc1cc(F)cc(C(=O)O)c1.
What is the InChIKey of 3-fluoro-5-(2-hydroxypropylamino)benzoic acid?
The InChIKey is CWKCNWNHEIKRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-6(13)5-12-9-3-7(10(14)15)2-8(11)4-9/h2-4,6,12-13H,5H2,1H3,(H,14,15).
What are the key properties of 3-fluoro-5-(2-hydroxypropylamino)benzoic acid?
3-fluoro-5-(2-hydroxypropylamino)benzoic acid has a molecular weight of 213.21 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2-hydroxypropylamino)benzoic acid is sourced from PubChem (CID 82539772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).