2-amino-6-hydroxy-3-methylbenzoic acid

C8H9NO3 — CID 84765169

IUPAC2-amino-6-hydroxy-3-methylbenzoic acid
SMILESCc1ccc(O)c(C(=O)O)c1N
InChIInChI=1S/C8H9NO3/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3,10H,9H2,1H3,(H,11,12)
InChIKeyDPGOKSYFGSBYCP-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.98
Rot. Bonds1

About 2-amino-6-hydroxy-3-methylbenzoic acid

2-amino-6-hydroxy-3-methylbenzoic acid (PubChem CID 84765169) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-amino-6-hydroxy-3-methylbenzoic acid.

Molecular Properties

Compound Name2-amino-6-hydroxy-3-methylbenzoic acid
PubChem CID84765169
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-amino-6-hydroxy-3-methylbenzoic acid
SMILESCc1ccc(O)c(C(=O)O)c1N
InChIInChI=1S/C8H9NO3/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3,10H,9H2,1H3,(H,11,12)
InChIKeyDPGOKSYFGSBYCP-UHFFFAOYSA-N
XLogP0.98
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Aminosalicylic Acid
CID 4649
Aminosalicylate Sodium
CID 16211148
4-Amino-6-hydroxybenzene-1,3-dicarboxylic acid
CID 459347
Sodium;4-amino-2-hydroxybenzoate;hydrate
CID 25102424
2-Amino-6-methoxybenzoic Acid
CID 2735357
Methyl 2-amino-6-methoxybenzoate
CID 12318577
2-Amino-4-hydroxybenzoic acid
CID 11182709
4-Amino-2-hydroxybenzoic acid--hydrogen chloride (1/1)
CID 12241392
2,3-Diaminosalicylic acid
CID 53481637
4-Amino-5-cyano-2-hydroxybenzoic acid
CID 12565197
2-Hydroxy-6-nitrobenzoic acid
CID 14943903
2-Amino-6-hydroxybenzoic acid
CID 13409833

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-hydroxy-3-methylbenzoic acid?
The IUPAC name of 2-amino-6-hydroxy-3-methylbenzoic acid (CID 84765169) is 2-amino-6-hydroxy-3-methylbenzoic acid.
What is the SMILES notation for 2-amino-6-hydroxy-3-methylbenzoic acid?
The canonical SMILES for 2-amino-6-hydroxy-3-methylbenzoic acid is Cc1ccc(O)c(C(=O)O)c1N.
What is the InChIKey of 2-amino-6-hydroxy-3-methylbenzoic acid?
The InChIKey is DPGOKSYFGSBYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3,10H,9H2,1H3,(H,11,12).
What are the key properties of 2-amino-6-hydroxy-3-methylbenzoic acid?
2-amino-6-hydroxy-3-methylbenzoic acid has a molecular weight of 167.16 g/mol, XLogP of 0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-hydroxy-3-methylbenzoic acid is sourced from PubChem (CID 84765169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).