2-hydroxy-5-[(5-methyloxolane-3-carbonyl)amino]benzoic acid

C13H15NO5 — CID 114824292

IUPAC2-hydroxy-5-[(5-methyloxolane-3-carbonyl)amino]benzoic acid
SMILESCC1CC(C(=O)Nc2ccc(O)c(C(=O)O)c2)CO1
InChIInChI=1S/C13H15NO5/c1-7-4-8(6-19-7)12(16)14-9-2-3-11(15)10(5-9)13(17)18/h2-3,5,7-8,15H,4,6H2,1H3,(H,14,16)(H,17,18)
InChIKeyLOIHFWIXLAJFLK-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.45
Rot. Bonds3

About 2-hydroxy-5-[(5-methyloxolane-3-carbonyl)amino]benzoic acid

2-hydroxy-5-[(5-methyloxolane-3-carbonyl)amino]benzoic acid (PubChem CID 114824292) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-hydroxy-5-[(5-methyloxolane-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(5-methyloxolane-3-carbonyl)amino]benzoic acid
PubChem CID114824292
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-hydroxy-5-[(5-methyloxolane-3-carbonyl)amino]benzoic acid
SMILESCC1CC(C(=O)Nc2ccc(O)c(C(=O)O)c2)CO1
InChIInChI=1S/C13H15NO5/c1-7-4-8(6-19-7)12(16)14-9-2-3-11(15)10(5-9)13(17)18/h2-3,5,7-8,15H,4,6H2,1H3,(H,14,16)(H,17,18)
InChIKeyLOIHFWIXLAJFLK-UHFFFAOYSA-N
XLogP1.45
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroxy-5-[(5-methyloxolane-3-carbonyl)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

5-[(1-acetylpiperidine-4-carbonyl)amino]-2-hydroxybenzoic acid
CID 108804438
5-methyl-2-[(5-methyloxolane-3-carbonyl)amino]benzoic acid
CID 114824330
2-hydroxy-5-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
CID 113467378
2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 7268809
2-hydroxy-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192489
(E)-3-[2-fluoro-5-[(5-methyloxolane-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 114827205
5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid
CID 104959655
3-bromo-5-[(5-methyloxolane-3-carbonyl)amino]benzoic acid
CID 114824546
2-methyl-4-[(5-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride
CID 114824661
3,5-dibromo-2-[(5-methyloxolane-3-carbonyl)amino]benzoic acid
CID 114824438
N-[3-(bromomethyl)phenyl]-5-methyloxolane-3-carboxamide
CID 114823258
N-(6-bromo-3-pyridinyl)-5-methyloxolane-3-carboxamide
CID 102676297

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(5-methyloxolane-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(5-methyloxolane-3-carbonyl)amino]benzoic acid (CID 114824292) is 2-hydroxy-5-[(5-methyloxolane-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(5-methyloxolane-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(5-methyloxolane-3-carbonyl)amino]benzoic acid is CC1CC(C(=O)Nc2ccc(O)c(C(=O)O)c2)CO1.
What is the InChIKey of 2-hydroxy-5-[(5-methyloxolane-3-carbonyl)amino]benzoic acid?
The InChIKey is LOIHFWIXLAJFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-7-4-8(6-19-7)12(16)14-9-2-3-11(15)10(5-9)13(17)18/h2-3,5,7-8,15H,4,6H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-hydroxy-5-[(5-methyloxolane-3-carbonyl)amino]benzoic acid?
2-hydroxy-5-[(5-methyloxolane-3-carbonyl)amino]benzoic acid has a molecular weight of 265.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(5-methyloxolane-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 114824292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).