3-(3-hydroxybutylamino)benzoic acid

C11H15NO3 — CID 102823082

IUPAC3-(3-hydroxybutylamino)benzoic acid
SMILESCC(O)CCNc1cccc(C(=O)O)c1
InChIInChI=1S/C11H15NO3/c1-8(13)5-6-12-10-4-2-3-9(7-10)11(14)15/h2-4,7-8,12-13H,5-6H2,1H3,(H,14,15)
InChIKeyKOIBLICLYRFOAK-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.57
Rot. Bonds5

About 3-(3-hydroxybutylamino)benzoic acid

3-(3-hydroxybutylamino)benzoic acid (PubChem CID 102823082) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(3-hydroxybutylamino)benzoic acid.

Molecular Properties

Compound Name3-(3-hydroxybutylamino)benzoic acid
PubChem CID102823082
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name3-(3-hydroxybutylamino)benzoic acid
SMILESCC(O)CCNc1cccc(C(=O)O)c1
InChIInChI=1S/C11H15NO3/c1-8(13)5-6-12-10-4-2-3-9(7-10)11(14)15/h2-4,7-8,12-13H,5-6H2,1H3,(H,14,15)
InChIKeyKOIBLICLYRFOAK-UHFFFAOYSA-N
XLogP1.57
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylsulfinylbutylamino)benzoic acid
CID 102823395
3-[(3-methoxy-3-methylbutyl)amino]benzoic acid
CID 106675116
3-(2-methylsulfinylethylamino)benzoic acid
CID 102823367
3-[4-[methyl(propan-2-yl)amino]butylamino]benzoic acid
CID 102822571
3-(2-phenylethylamino)benzoic acid
CID 43139401
2-fluoro-4-(3-hydroxybutylamino)benzoic acid
CID 115485505
3-(2-ethoxyethylamino)benzoic acid
CID 102822375
3-(2-phenylpropylamino)benzoic acid
CID 43139349
3-(5-hydroxypentylamino)benzoic acid
CID 107319684
1-[3-[(4-amino-3-methylbutyl)amino]phenyl]ethanone
CID 112509851
3-[2-(dimethylsulfamoyl)ethylamino]benzoic acid
CID 106342831
3-(methylsulfonylmethylamino)benzoic acid
CID 68815004

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxybutylamino)benzoic acid?
The IUPAC name of 3-(3-hydroxybutylamino)benzoic acid (CID 102823082) is 3-(3-hydroxybutylamino)benzoic acid.
What is the SMILES notation for 3-(3-hydroxybutylamino)benzoic acid?
The canonical SMILES for 3-(3-hydroxybutylamino)benzoic acid is CC(O)CCNc1cccc(C(=O)O)c1.
What is the InChIKey of 3-(3-hydroxybutylamino)benzoic acid?
The InChIKey is KOIBLICLYRFOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(13)5-6-12-10-4-2-3-9(7-10)11(14)15/h2-4,7-8,12-13H,5-6H2,1H3,(H,14,15).
What are the key properties of 3-(3-hydroxybutylamino)benzoic acid?
3-(3-hydroxybutylamino)benzoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxybutylamino)benzoic acid is sourced from PubChem (CID 102823082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).