4-amino-3-hydroxybenzoic acid;4-amino-3-methylbenzoic acid

C15H16N2O5 — CID 70365810

IUPAC4-amino-3-hydroxybenzoic acid;4-amino-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1N.Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C8H9NO2.C7H7NO3/c1-5-4-6(8(10)11)2-3-7(5)9;8-5-2-1-4(7(10)11)3-6(5)9/h2-4H,9H2,1H3,(H,10,11);1-3,9H,8H2,(H,10,11)
InChIKeyVMMJVFSGWCKYIM-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.95
Rot. Bonds2

About 4-amino-3-hydroxybenzoic acid;4-amino-3-methylbenzoic acid

4-amino-3-hydroxybenzoic acid;4-amino-3-methylbenzoic acid (PubChem CID 70365810) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 4-amino-3-hydroxybenzoic acid;4-amino-3-methylbenzoic acid.

Molecular Properties

Compound Name4-amino-3-hydroxybenzoic acid;4-amino-3-methylbenzoic acid
PubChem CID70365810
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name4-amino-3-hydroxybenzoic acid;4-amino-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1N.Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C8H9NO2.C7H7NO3/c1-5-4-6(8(10)11)2-3-7(5)9;8-5-2-1-4(7(10)11)3-6(5)9/h2-4H,9H2,1H3,(H,10,11);1-3,9H,8H2,(H,10,11)
InChIKeyVMMJVFSGWCKYIM-UHFFFAOYSA-N
XLogP1.95
TPSA146.87 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-3-methylphenyl)benzoic acid
CID 23005198
3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid
CID 160831829
3-amino-4-hydroxybenzoic acid
CID 161134080
sodium;3-amino-4-methylbenzoic acid;3,4-dimethylbenzoic acid;hydroxide
CID 161106922
ethyl 4-amino-3-hydroxybenzoate
CID 12784565
4-amino-3-methyl-N-oxobenzamide
CID 89119624
4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 43714021
2-methylaniline;terephthalic acid
CID 174605990
3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid
CID 114103412
1-(4-amino-3-methylphenyl)prop-2-en-1-one
CID 116553934
(4-amino-3-methylphenyl)-(4-phenylphenyl)methanone
CID 91678510
4-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-hydroxybenzamide
CID 102739332

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxybenzoic acid;4-amino-3-methylbenzoic acid?
The IUPAC name of 4-amino-3-hydroxybenzoic acid;4-amino-3-methylbenzoic acid (CID 70365810) is 4-amino-3-hydroxybenzoic acid;4-amino-3-methylbenzoic acid.
What is the SMILES notation for 4-amino-3-hydroxybenzoic acid;4-amino-3-methylbenzoic acid?
The canonical SMILES for 4-amino-3-hydroxybenzoic acid;4-amino-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1N.Nc1ccc(C(=O)O)cc1O.
What is the InChIKey of 4-amino-3-hydroxybenzoic acid;4-amino-3-methylbenzoic acid?
The InChIKey is VMMJVFSGWCKYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C7H7NO3/c1-5-4-6(8(10)11)2-3-7(5)9;8-5-2-1-4(7(10)11)3-6(5)9/h2-4H,9H2,1H3,(H,10,11);1-3,9H,8H2,(H,10,11).
What are the key properties of 4-amino-3-hydroxybenzoic acid;4-amino-3-methylbenzoic acid?
4-amino-3-hydroxybenzoic acid;4-amino-3-methylbenzoic acid has a molecular weight of 304.30 g/mol, XLogP of 1.95, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxybenzoic acid;4-amino-3-methylbenzoic acid is sourced from PubChem (CID 70365810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).