5-amino-2-hydroxybenzoic acid;5-amino-6-hydroxy-5-methylcyclohexa-1,3-diene-1-carboxylic acid

C15H18N2O6 — CID 67674398

IUPAC5-amino-2-hydroxybenzoic acid;5-amino-6-hydroxy-5-methylcyclohexa-1,3-diene-1-carboxylic acid
SMILESCC1(N)C=CC=C(C(=O)O)C1O.Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C8H11NO3.C7H7NO3/c1-8(9)4-2-3-5(6(8)10)7(11)12;8-4-1-2-6(9)5(3-4)7(10)11/h2-4,6,10H,9H2,1H3,(H,11,12);1-3,9H,8H2,(H,10,11)
InChIKeySFEBQTSBVXOORK-UHFFFAOYSA-N
MW322.32 g/mol
LogP0.32
Rot. Bonds2

About 5-amino-2-hydroxybenzoic acid;5-amino-6-hydroxy-5-methylcyclohexa-1,3-diene-1-carboxylic acid

5-amino-2-hydroxybenzoic acid;5-amino-6-hydroxy-5-methylcyclohexa-1,3-diene-1-carboxylic acid (PubChem CID 67674398) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is 5-amino-2-hydroxybenzoic acid;5-amino-6-hydroxy-5-methylcyclohexa-1,3-diene-1-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-hydroxybenzoic acid;5-amino-6-hydroxy-5-methylcyclohexa-1,3-diene-1-carboxylic acid
PubChem CID67674398
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name5-amino-2-hydroxybenzoic acid;5-amino-6-hydroxy-5-methylcyclohexa-1,3-diene-1-carboxylic acid
SMILESCC1(N)C=CC=C(C(=O)O)C1O.Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C8H11NO3.C7H7NO3/c1-8(9)4-2-3-5(6(8)10)7(11)12;8-4-1-2-6(9)5(3-4)7(10)11/h2-4,6,10H,9H2,1H3,(H,11,12);1-3,9H,8H2,(H,10,11)
InChIKeySFEBQTSBVXOORK-UHFFFAOYSA-N
XLogP0.32
TPSA167.10 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.32
LogP ≤ 50.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-amino-2-hydroxybenzoic acid;5-amino-6-hydroxy-5-methylcyclohexa-1,3-diene-1-carboxylic 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-2-hydroxybenzoic acid;methanol
CID 143451983
dipotassium;5-amino-2-hydroxybenzoic acid;hydride
CID 173393378
4-amino-2-hydroxybenzoic acid;dihydrochloride
CID 140557780
4-hydroxybenzene-1,3-dicarboxylic acid
CID 161113247
lithium;4-amino-2-hydroxybenzoic acid;hydride
CID 173041117
4-amino-2-hydroxybenzoic acid;carbamic acid
CID 67980024
CID 131855870
CID 131855870
benzene-1,4-diamine;2-hydroxybenzoic acid
CID 162016766
bis(5-amino-2-(4-amino-2-carboxyphenyl)benzoic acid);hydrate
CID 174768494
strontium;2,5-dihydroxybenzoic acid;hydride
CID 173389066
2,5-dihydroxybenzoic acid;methanol
CID 174970806
5-amino-2-hydroxybenzoic acid;2-(prop-2-enoylamino)acetic acid
CID 175522793

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-hydroxybenzoic acid;5-amino-6-hydroxy-5-methylcyclohexa-1,3-diene-1-carboxylic acid?
The IUPAC name of 5-amino-2-hydroxybenzoic acid;5-amino-6-hydroxy-5-methylcyclohexa-1,3-diene-1-carboxylic acid (CID 67674398) is 5-amino-2-hydroxybenzoic acid;5-amino-6-hydroxy-5-methylcyclohexa-1,3-diene-1-carboxylic acid.
What is the SMILES notation for 5-amino-2-hydroxybenzoic acid;5-amino-6-hydroxy-5-methylcyclohexa-1,3-diene-1-carboxylic acid?
The canonical SMILES for 5-amino-2-hydroxybenzoic acid;5-amino-6-hydroxy-5-methylcyclohexa-1,3-diene-1-carboxylic acid is CC1(N)C=CC=C(C(=O)O)C1O.Nc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-hydroxybenzoic acid;5-amino-6-hydroxy-5-methylcyclohexa-1,3-diene-1-carboxylic acid?
The InChIKey is SFEBQTSBVXOORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3.C7H7NO3/c1-8(9)4-2-3-5(6(8)10)7(11)12;8-4-1-2-6(9)5(3-4)7(10)11/h2-4,6,10H,9H2,1H3,(H,11,12);1-3,9H,8H2,(H,10,11).
What are the key properties of 5-amino-2-hydroxybenzoic acid;5-amino-6-hydroxy-5-methylcyclohexa-1,3-diene-1-carboxylic acid?
5-amino-2-hydroxybenzoic acid;5-amino-6-hydroxy-5-methylcyclohexa-1,3-diene-1-carboxylic acid has a molecular weight of 322.32 g/mol, XLogP of 0.32, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-hydroxybenzoic acid;5-amino-6-hydroxy-5-methylcyclohexa-1,3-diene-1-carboxylic acid is sourced from PubChem (CID 67674398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).