4-(dimethylamino)-3-hydroxybenzoic acid

C9H11NO3 — CID 21481551

IUPAC4-(dimethylamino)-3-hydroxybenzoic acid
SMILESCN(C)c1ccc(C(=O)O)cc1O
InChIInChI=1S/C9H11NO3/c1-10(2)7-4-3-6(9(12)13)5-8(7)11/h3-5,11H,1-2H3,(H,12,13)
InChIKeyGBSNAHQRYIDNMO-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.16
Rot. Bonds2

About 4-(dimethylamino)-3-hydroxybenzoic acid

4-(dimethylamino)-3-hydroxybenzoic acid (PubChem CID 21481551) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-(dimethylamino)-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-3-hydroxybenzoic acid
PubChem CID21481551
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name4-(dimethylamino)-3-hydroxybenzoic acid
SMILESCN(C)c1ccc(C(=O)O)cc1O
InChIInChI=1S/C9H11NO3/c1-10(2)7-4-3-6(9(12)13)5-8(7)11/h3-5,11H,1-2H3,(H,12,13)
InChIKeyGBSNAHQRYIDNMO-UHFFFAOYSA-N
XLogP1.16
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-(dimethylamino)benzoic acid
CID 82785522
4-(dimethylamino)-3-(dimethylsulfamoyl)benzoic acid
CID 99988945
benzene;3,4-dihydroxybenzoic acid
CID 175073097
bis(3,4-dihydroxybenzoic acid);zirconium
CID 23558402
4-(dimethylamino)-3-isothiocyanatobenzoic acid
CID 124908658
3-(dimethylamino)-4-methoxybenzoic acid;hydrochloride
CID 53429691
4-[[4-(dimethylamino)benzoyl]amino]-3-hydroxybenzoic acid
CID 108744182
3-hydroxy-4-methoxybenzoic acid
CID 12575
calcium bis(4-carboxy-2-hydroxyphenolate)
CID 68865132
3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid
CID 160831829
4-[2,2-dimethylpropyl(methyl)amino]-3-methylbenzoic acid
CID 62122006
3-methyl-4-[methyl(propyl)amino]benzoic acid
CID 62120072

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-hydroxybenzoic acid?
The IUPAC name of 4-(dimethylamino)-3-hydroxybenzoic acid (CID 21481551) is 4-(dimethylamino)-3-hydroxybenzoic acid.
What is the SMILES notation for 4-(dimethylamino)-3-hydroxybenzoic acid?
The canonical SMILES for 4-(dimethylamino)-3-hydroxybenzoic acid is CN(C)c1ccc(C(=O)O)cc1O.
What is the InChIKey of 4-(dimethylamino)-3-hydroxybenzoic acid?
The InChIKey is GBSNAHQRYIDNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-10(2)7-4-3-6(9(12)13)5-8(7)11/h3-5,11H,1-2H3,(H,12,13).
What are the key properties of 4-(dimethylamino)-3-hydroxybenzoic acid?
4-(dimethylamino)-3-hydroxybenzoic acid has a molecular weight of 181.19 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-hydroxybenzoic acid is sourced from PubChem (CID 21481551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).