5-amino-3-hydroxy-2,4-dimethylbenzoic acid

C9H11NO3 — CID 105439220

IUPAC5-amino-3-hydroxy-2,4-dimethylbenzoic acid
SMILESCc1c(N)cc(C(=O)O)c(C)c1O
InChIInChI=1S/C9H11NO3/c1-4-6(9(12)13)3-7(10)5(2)8(4)11/h3,11H,10H2,1-2H3,(H,12,13)
InChIKeyOXZBRKJXUXOEGU-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.29
Rot. Bonds1

About 5-amino-3-hydroxy-2,4-dimethylbenzoic acid

5-amino-3-hydroxy-2,4-dimethylbenzoic acid (PubChem CID 105439220) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-amino-3-hydroxy-2,4-dimethylbenzoic acid.

Molecular Properties

Compound Name5-amino-3-hydroxy-2,4-dimethylbenzoic acid
PubChem CID105439220
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name5-amino-3-hydroxy-2,4-dimethylbenzoic acid
SMILESCc1c(N)cc(C(=O)O)c(C)c1O
InChIInChI=1S/C9H11NO3/c1-4-6(9(12)13)3-7(10)5(2)8(4)11/h3,11H,10H2,1-2H3,(H,12,13)
InChIKeyOXZBRKJXUXOEGU-UHFFFAOYSA-N
XLogP1.29
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-3-hydroxy-2,4-dimethylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-3-fluoro-2,4-dimethylbenzoic acid
CID 84768923
3,4-dihydroxy-2,5-dimethylbenzoic acid
CID 18992107
5-amino-3-[(dimethylamino)methyl]-4-hydroxy-2-methylbenzoic acid
CID 84689127
3-hydroxy-2,5-dimethylterephthalic acid
CID 169085386
4-bromo-3-hydroxy-2,5-dimethylbenzoic acid
CID 84802761
4-hydroxy-5-methoxy-2,3-dimethylbenzoic acid
CID 117285992
5-(chloromethyl)-3,4-dihydroxy-2-methylbenzoic acid
CID 170349965
4,5-dihydroxy-1,6-dimethylnaphthalene-2,7-dicarboxylic acid
CID 59736343
4-amino-7-methyl-1-benzothiophene-6-carboxylic acid
CID 131076269
4-hydroxy-3-methylnaphthalene-2-carboxylic acid
CID 58932971
2-[4-(6-carboxy-3-hydroxy-2,4-dimethylphenyl)-2,3,5,6-tetramethylphenyl]-4-hydroxy-3,5-dimethylbenzoic acid
CID 150850601
3,4-dihydroxy-2-methylbenzoic acid
CID 10442073

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-hydroxy-2,4-dimethylbenzoic acid?
The IUPAC name of 5-amino-3-hydroxy-2,4-dimethylbenzoic acid (CID 105439220) is 5-amino-3-hydroxy-2,4-dimethylbenzoic acid.
What is the SMILES notation for 5-amino-3-hydroxy-2,4-dimethylbenzoic acid?
The canonical SMILES for 5-amino-3-hydroxy-2,4-dimethylbenzoic acid is Cc1c(N)cc(C(=O)O)c(C)c1O.
What is the InChIKey of 5-amino-3-hydroxy-2,4-dimethylbenzoic acid?
The InChIKey is OXZBRKJXUXOEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-4-6(9(12)13)3-7(10)5(2)8(4)11/h3,11H,10H2,1-2H3,(H,12,13).
What are the key properties of 5-amino-3-hydroxy-2,4-dimethylbenzoic acid?
5-amino-3-hydroxy-2,4-dimethylbenzoic acid has a molecular weight of 181.19 g/mol, XLogP of 1.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-hydroxy-2,4-dimethylbenzoic acid is sourced from PubChem (CID 105439220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).