5-(2-carboxybenzoyl)-N-hydroxy-2-methylbenzeneamine oxide

C15H13NO5 — CID 163167282

IUPAC5-(2-carboxybenzoyl)-N-hydroxy-2-methylbenzeneamine oxide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)O)cc1[NH+]([O-])O
InChIInChI=1S/C15H13NO5/c1-9-6-7-10(8-13(9)16(20)21)14(17)11-4-2-3-5-12(11)15(18)19/h2-8,16,20H,1H3,(H,18,19)
InChIKeyTYPBNZQOEJKXLT-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.33
Rot. Bonds4

About 5-(2-carboxybenzoyl)-N-hydroxy-2-methylbenzeneamine oxide

5-(2-carboxybenzoyl)-N-hydroxy-2-methylbenzeneamine oxide (PubChem CID 163167282) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 5-(2-carboxybenzoyl)-N-hydroxy-2-methylbenzeneamine oxide.

Molecular Properties

Compound Name5-(2-carboxybenzoyl)-N-hydroxy-2-methylbenzeneamine oxide
PubChem CID163167282
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name5-(2-carboxybenzoyl)-N-hydroxy-2-methylbenzeneamine oxide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)O)cc1[NH+]([O-])O
InChIInChI=1S/C15H13NO5/c1-9-6-7-10(8-13(9)16(20)21)14(17)11-4-2-3-5-12(11)15(18)19/h2-8,16,20H,1H3,(H,18,19)
InChIKeyTYPBNZQOEJKXLT-UHFFFAOYSA-N
XLogP1.33
TPSA102.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(2-carboxybenzoyl)-N-hydroxy-2-methylbenzeneamine oxide 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-(4-bromo-3-methylbenzoyl)benzoic acid
CID 123816011
4-(2-methylbenzoyl)phthalic acid
CID 22362607
2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid
CID 153325075
2-carboxy-N-hydroxybenzeneamine oxide
CID 87433862
2-(3,4-dichlorobenzoyl)benzoic acid
CID 793356
2-(3-methylbenzoyl)benzoic acid
CID 2801746
4-methylbenzene-1,3-dicarboxylic acid;phthalic acid
CID 162069170
4-(2-acetylbenzoyl)phthalic acid
CID 71123619
azanium;2-(3,4-dimethylbenzoyl)benzoate;dihydrate
CID 139085668
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
2-[4-(trihydroxy-λ4-sulfanyl)benzoyl]benzoic acid
CID 59081839
2-(3-tert-butyl-4-hydroxybenzoyl)benzoic acid
CID 139838866

Frequently Asked Questions

What is the IUPAC name of 5-(2-carboxybenzoyl)-N-hydroxy-2-methylbenzeneamine oxide?
The IUPAC name of 5-(2-carboxybenzoyl)-N-hydroxy-2-methylbenzeneamine oxide (CID 163167282) is 5-(2-carboxybenzoyl)-N-hydroxy-2-methylbenzeneamine oxide.
What is the SMILES notation for 5-(2-carboxybenzoyl)-N-hydroxy-2-methylbenzeneamine oxide?
The canonical SMILES for 5-(2-carboxybenzoyl)-N-hydroxy-2-methylbenzeneamine oxide is Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1[NH+]([O-])O.
What is the InChIKey of 5-(2-carboxybenzoyl)-N-hydroxy-2-methylbenzeneamine oxide?
The InChIKey is TYPBNZQOEJKXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-9-6-7-10(8-13(9)16(20)21)14(17)11-4-2-3-5-12(11)15(18)19/h2-8,16,20H,1H3,(H,18,19).
What are the key properties of 5-(2-carboxybenzoyl)-N-hydroxy-2-methylbenzeneamine oxide?
5-(2-carboxybenzoyl)-N-hydroxy-2-methylbenzeneamine oxide has a molecular weight of 287.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-carboxybenzoyl)-N-hydroxy-2-methylbenzeneamine oxide is sourced from PubChem (CID 163167282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).