5-hydroxy-2-(oxaloamino)benzoic acid

C9H7NO6 — CID 20651558

IUPAC5-hydroxy-2-(oxaloamino)benzoic acid
SMILESO=C(O)C(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C9H7NO6/c11-4-1-2-6(5(3-4)8(13)14)10-7(12)9(15)16/h1-3,11H,(H,10,12)(H,13,14)(H,15,16)
InChIKeyYODRIDAGIKEUIP-UHFFFAOYSA-N
MW225.16 g/mol
LogP0.11
Rot. Bonds2

About 5-hydroxy-2-(oxaloamino)benzoic acid

5-hydroxy-2-(oxaloamino)benzoic acid (PubChem CID 20651558) has the molecular formula C9H7NO6 and a molecular weight of 225.16 g/mol. Its IUPAC name is 5-hydroxy-2-(oxaloamino)benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-(oxaloamino)benzoic acid
PubChem CID20651558
Molecular FormulaC9H7NO6
Molecular Weight225.16 g/mol
Exact Mass225.03
IUPAC Name5-hydroxy-2-(oxaloamino)benzoic acid
SMILESO=C(O)C(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C9H7NO6/c11-4-1-2-6(5(3-4)8(13)14)10-7(12)9(15)16/h1-3,11H,(H,10,12)(H,13,14)(H,15,16)
InChIKeyYODRIDAGIKEUIP-UHFFFAOYSA-N
XLogP0.11
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-hydroxy-2-(oxaloamino)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dihydroxyanilino)-2-oxoacetic acid
CID 154478317
2-[(2,2-difluoroacetyl)amino]-5-hydroxybenzoic acid
CID 103513232
2-(2-cyclopropylpropanoylamino)-5-hydroxybenzoic acid
CID 83146824
2-(3-aminopropanoylamino)-5-hydroxybenzoic acid
CID 61405791
5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid
CID 61405958
5-hydroxy-2-(methanesulfonamido)benzoic acid
CID 61406346
5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid
CID 61405856
5-hydroxy-2-(4-methylpentanoylamino)benzoic acid
CID 61406249
2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-hydroxybenzoic acid
CID 61406263
2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid
CID 61405952
5-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 61406284
2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid
CID 61406308

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(oxaloamino)benzoic acid?
The IUPAC name of 5-hydroxy-2-(oxaloamino)benzoic acid (CID 20651558) is 5-hydroxy-2-(oxaloamino)benzoic acid.
What is the SMILES notation for 5-hydroxy-2-(oxaloamino)benzoic acid?
The canonical SMILES for 5-hydroxy-2-(oxaloamino)benzoic acid is O=C(O)C(=O)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 5-hydroxy-2-(oxaloamino)benzoic acid?
The InChIKey is YODRIDAGIKEUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO6/c11-4-1-2-6(5(3-4)8(13)14)10-7(12)9(15)16/h1-3,11H,(H,10,12)(H,13,14)(H,15,16).
What are the key properties of 5-hydroxy-2-(oxaloamino)benzoic acid?
5-hydroxy-2-(oxaloamino)benzoic acid has a molecular weight of 225.16 g/mol, XLogP of 0.11, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(oxaloamino)benzoic acid is sourced from PubChem (CID 20651558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).