2-hydroxy-5-[(2-hydroxyphenyl)methylamino]benzoic acid

C14H13NO4 — CID 10106602

IUPAC2-hydroxy-5-[(2-hydroxyphenyl)methylamino]benzoic acid
SMILESO=C(O)c1cc(NCc2ccccc2O)ccc1O
InChIInChI=1S/C14H13NO4/c16-12-4-2-1-3-9(12)8-15-10-5-6-13(17)11(7-10)14(18)19/h1-7,15-17H,8H2,(H,18,19)
InChIKeyWSUKEAJMTLBGAN-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.41
Rot. Bonds4

About 2-hydroxy-5-[(2-hydroxyphenyl)methylamino]benzoic acid

2-hydroxy-5-[(2-hydroxyphenyl)methylamino]benzoic acid (PubChem CID 10106602) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-hydroxy-5-[(2-hydroxyphenyl)methylamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(2-hydroxyphenyl)methylamino]benzoic acid
PubChem CID10106602
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name2-hydroxy-5-[(2-hydroxyphenyl)methylamino]benzoic acid
SMILESO=C(O)c1cc(NCc2ccccc2O)ccc1O
InChIInChI=1S/C14H13NO4/c16-12-4-2-1-3-9(12)8-15-10-5-6-13(17)11(7-10)14(18)19/h1-7,15-17H,8H2,(H,18,19)
InChIKeyWSUKEAJMTLBGAN-UHFFFAOYSA-N
XLogP2.41
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(2-hydroxyphenyl)methylamino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(2-hydroxyphenyl)methylamino]benzoic acid (CID 10106602) is 2-hydroxy-5-[(2-hydroxyphenyl)methylamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(2-hydroxyphenyl)methylamino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(2-hydroxyphenyl)methylamino]benzoic acid is O=C(O)c1cc(NCc2ccccc2O)ccc1O.
What is the InChIKey of 2-hydroxy-5-[(2-hydroxyphenyl)methylamino]benzoic acid?
The InChIKey is WSUKEAJMTLBGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-12-4-2-1-3-9(12)8-15-10-5-6-13(17)11(7-10)14(18)19/h1-7,15-17H,8H2,(H,18,19).
What are the key properties of 2-hydroxy-5-[(2-hydroxyphenyl)methylamino]benzoic acid?
2-hydroxy-5-[(2-hydroxyphenyl)methylamino]benzoic acid has a molecular weight of 259.26 g/mol, XLogP of 2.41, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(2-hydroxyphenyl)methylamino]benzoic acid is sourced from PubChem (CID 10106602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).