4-amino-2-hydroxybenzoic acid

C7H7NO3 — CID 4649

💊View drug profile → aminosalicylic acid
IUPAC4-amino-2-hydroxybenzoic acid
SMILESNc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
InChIKeyWUBBRNOQWQTFEX-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.67
Rot. Bonds1

About 4-amino-2-hydroxybenzoic acid

4-amino-2-hydroxybenzoic acid (PubChem CID 4649) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 4-amino-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-amino-2-hydroxybenzoic acid
PubChem CID4649
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name4-amino-2-hydroxybenzoic acid
SMILESNc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
InChIKeyWUBBRNOQWQTFEX-UHFFFAOYSA-N
XLogP0.67
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-hydroxybenzoic acid?
The IUPAC name of 4-amino-2-hydroxybenzoic acid (CID 4649) is 4-amino-2-hydroxybenzoic acid.
What is the SMILES notation for 4-amino-2-hydroxybenzoic acid?
The canonical SMILES for 4-amino-2-hydroxybenzoic acid is Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-amino-2-hydroxybenzoic acid?
The InChIKey is WUBBRNOQWQTFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11).
What are the key properties of 4-amino-2-hydroxybenzoic acid?
4-amino-2-hydroxybenzoic acid has a molecular weight of 153.14 g/mol, XLogP of 0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-hydroxybenzoic acid is sourced from PubChem (CID 4649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).