4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid

C15H13NO5 — CID 107670939

IUPAC4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid
SMILESCc1cc(O)ccc1C(=O)Nc1cc(C(=O)O)ccc1O
InChIInChI=1S/C15H13NO5/c1-8-6-10(17)3-4-11(8)14(19)16-12-7-9(15(20)21)2-5-13(12)18/h2-7,17-18H,1H3,(H,16,19)(H,20,21)
InChIKeyCMDASZLIXSMHSL-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.36
Rot. Bonds3

About 4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid

4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid (PubChem CID 107670939) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid
PubChem CID107670939
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid
SMILESCc1cc(O)ccc1C(=O)Nc1cc(C(=O)O)ccc1O
InChIInChI=1S/C15H13NO5/c1-8-6-10(17)3-4-11(8)14(19)16-12-7-9(15(20)21)2-5-13(12)18/h2-7,17-18H,1H3,(H,16,19)(H,20,21)
InChIKeyCMDASZLIXSMHSL-UHFFFAOYSA-N
XLogP2.36
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-[(2-methylfuran-3-carbonyl)amino]benzoic acid
CID 107264605
3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid
CID 107674656
4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 107674680
3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid
CID 107264705
3-[(2,4-dibromobenzoyl)amino]-4-hydroxybenzoic acid
CID 107938407
4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 106500177
3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-hydroxybenzoic acid
CID 107264647
4-hydroxy-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 103867304
3-[(2-benzoylbenzoyl)amino]-4-hydroxybenzoic acid
CID 108753900
3-[(4-bromo-2-chlorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264740
4-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)benzamide
CID 103863779
3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid
CID 107674655

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid (CID 107670939) is 4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid is Cc1cc(O)ccc1C(=O)Nc1cc(C(=O)O)ccc1O.
What is the InChIKey of 4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid?
The InChIKey is CMDASZLIXSMHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-8-6-10(17)3-4-11(8)14(19)16-12-7-9(15(20)21)2-5-13(12)18/h2-7,17-18H,1H3,(H,16,19)(H,20,21).
What are the key properties of 4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid?
4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid has a molecular weight of 287.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 107670939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).