5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxybenzoic acid

C15H11NO6 — CID 16776296

IUPAC5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxybenzoic acid
SMILESO=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H11NO6/c17-11-3-2-9(6-10(11)15(19)20)16-14(18)8-1-4-12-13(5-8)22-7-21-12/h1-6,17H,7H2,(H,16,18)(H,19,20)
InChIKeyVGBGUMFDWWINLC-UHFFFAOYSA-N
MW301.25 g/mol
LogP2.07
Rot. Bonds3

About 5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxybenzoic acid

5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxybenzoic acid (PubChem CID 16776296) has the molecular formula C15H11NO6 and a molecular weight of 301.25 g/mol. Its IUPAC name is 5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxybenzoic acid
PubChem CID16776296
Molecular FormulaC15H11NO6
Molecular Weight301.25 g/mol
Exact Mass301.06
IUPAC Name5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxybenzoic acid
SMILESO=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H11NO6/c17-11-3-2-9(6-10(11)15(19)20)16-14(18)8-1-4-12-13(5-8)22-7-21-12/h1-6,17H,7H2,(H,16,18)(H,19,20)
InChIKeyVGBGUMFDWWINLC-UHFFFAOYSA-N
XLogP2.07
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxybenzoic 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-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
CID 959403
N-(1,3-benzodioxol-5-yl)-2-hydroxy-5-methylbenzamide
CID 16573543
N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123
N-(3-amino-4-chlorophenyl)-1,3-benzodioxole-5-carboxamide
CID 16775406
5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-hydroxy-3-methylbenzoic acid
CID 28671037
N-[3-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 38496033
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-1,3-benzodioxole-5-carboxamide
CID 135645667
N-[4-(4-fluoroanilino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112986861
N-(2,1,3-benzothiadiazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 773424
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 3951252
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 24699163
N-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 1092870

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxybenzoic acid?
The IUPAC name of 5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxybenzoic acid (CID 16776296) is 5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxybenzoic acid is O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc2c(c1)OCO2.
What is the InChIKey of 5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxybenzoic acid?
The InChIKey is VGBGUMFDWWINLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO6/c17-11-3-2-9(6-10(11)15(19)20)16-14(18)8-1-4-12-13(5-8)22-7-21-12/h1-6,17H,7H2,(H,16,18)(H,19,20).
What are the key properties of 5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxybenzoic acid?
5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxybenzoic acid has a molecular weight of 301.25 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxybenzoic acid is sourced from PubChem (CID 16776296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).