2-hydroxy-5-[[2-(oxolan-3-yl)acetyl]amino]benzoic acid

C13H15NO5 — CID 136557392

IUPAC2-hydroxy-5-[[2-(oxolan-3-yl)acetyl]amino]benzoic acid
SMILESO=C(CC1CCOC1)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C13H15NO5/c15-11-2-1-9(6-10(11)13(17)18)14-12(16)5-8-3-4-19-7-8/h1-2,6,8,15H,3-5,7H2,(H,14,16)(H,17,18)
InChIKeyLWUFSQXMCCAUJY-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.46
Rot. Bonds4

About 2-hydroxy-5-[[2-(oxolan-3-yl)acetyl]amino]benzoic acid

2-hydroxy-5-[[2-(oxolan-3-yl)acetyl]amino]benzoic acid (PubChem CID 136557392) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-hydroxy-5-[[2-(oxolan-3-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[[2-(oxolan-3-yl)acetyl]amino]benzoic acid
PubChem CID136557392
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-hydroxy-5-[[2-(oxolan-3-yl)acetyl]amino]benzoic acid
SMILESO=C(CC1CCOC1)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C13H15NO5/c15-11-2-1-9(6-10(11)13(17)18)14-12(16)5-8-3-4-19-7-8/h1-2,6,8,15H,3-5,7H2,(H,14,16)(H,17,18)
InChIKeyLWUFSQXMCCAUJY-UHFFFAOYSA-N
XLogP1.46
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroxy-5-[[2-(oxolan-3-yl)acetyl]amino]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

N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 126789596
5-[(2-cyclobutylacetyl)amino]-2-methylbenzoic acid
CID 113352851
2-(oxan-4-yl)-N-phenylacetamide
CID 110856528
2-hydroxy-5-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoic acid
CID 154746397
2-hydroxy-5-(sulfanylamino)benzoic acid
CID 170946645
2-hydroxy-5-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid
CID 108808740
2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 7268809
N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide
CID 110862725
5-(but-3-enoylamino)-2-hydroxybenzoic acid
CID 62685346
2-hydroxy-5-(3,3,3-trifluoropropanoylamino)benzoic acid
CID 16777039
5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 115273633
2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862088

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[[2-(oxolan-3-yl)acetyl]amino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[[2-(oxolan-3-yl)acetyl]amino]benzoic acid (CID 136557392) is 2-hydroxy-5-[[2-(oxolan-3-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[[2-(oxolan-3-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[[2-(oxolan-3-yl)acetyl]amino]benzoic acid is O=C(CC1CCOC1)Nc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-[[2-(oxolan-3-yl)acetyl]amino]benzoic acid?
The InChIKey is LWUFSQXMCCAUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c15-11-2-1-9(6-10(11)13(17)18)14-12(16)5-8-3-4-19-7-8/h1-2,6,8,15H,3-5,7H2,(H,14,16)(H,17,18).
What are the key properties of 2-hydroxy-5-[[2-(oxolan-3-yl)acetyl]amino]benzoic acid?
2-hydroxy-5-[[2-(oxolan-3-yl)acetyl]amino]benzoic acid has a molecular weight of 265.26 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[[2-(oxolan-3-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 136557392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).