4-amino-2-hydroxybenzoic acid

C14H14N2O6 — CID 11988145

IUPAC4-amino-2-hydroxybenzoic acid
SMILESNc1ccc(C(=O)O)c(O)c1.Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/2C7H7NO3/c2*8-4-1-2-5(7(10)11)6(9)3-4/h2*1-3,9H,8H2,(H,10,11)
InChIKeyXRUKSARUAXTNEA-UHFFFAOYSA-N
MW306.27 g/mol
LogP1.35
Rot. Bonds2

About 4-amino-2-hydroxybenzoic acid

4-amino-2-hydroxybenzoic acid (PubChem CID 11988145) has the molecular formula C14H14N2O6 and a molecular weight of 306.27 g/mol. Its IUPAC name is 4-amino-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-amino-2-hydroxybenzoic acid
PubChem CID11988145
Molecular FormulaC14H14N2O6
Molecular Weight306.27 g/mol
Exact Mass306.09
IUPAC Name4-amino-2-hydroxybenzoic acid
SMILESNc1ccc(C(=O)O)c(O)c1.Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/2C7H7NO3/c2*8-4-1-2-5(7(10)11)6(9)3-4/h2*1-3,9H,8H2,(H,10,11)
InChIKeyXRUKSARUAXTNEA-UHFFFAOYSA-N
XLogP1.35
TPSA167.10 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.27
LogP ≤ 51.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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 11988145) 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.Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-amino-2-hydroxybenzoic acid?
The InChIKey is XRUKSARUAXTNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7NO3/c2*8-4-1-2-5(7(10)11)6(9)3-4/h2*1-3,9H,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 306.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-hydroxybenzoic acid is sourced from PubChem (CID 11988145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).