5-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxybenzoic acid

C15H15NO4 — CID 24704021

IUPAC5-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NC(=O)C2CC3C=CC2C3)ccc1O
InChIInChI=1S/C15H15NO4/c17-13-4-3-10(7-12(13)15(19)20)16-14(18)11-6-8-1-2-9(11)5-8/h1-4,7-9,11,17H,5-6H2,(H,16,18)(H,19,20)
InChIKeyOAZQVAOPCOHNKT-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.24
Rot. Bonds3

About 5-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxybenzoic acid

5-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxybenzoic acid (PubChem CID 24704021) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxybenzoic acid
PubChem CID24704021
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name5-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NC(=O)C2CC3C=CC2C3)ccc1O
InChIInChI=1S/C15H15NO4/c17-13-4-3-10(7-12(13)15(19)20)16-14(18)11-6-8-1-2-9(11)5-8/h1-4,7-9,11,17H,5-6H2,(H,16,18)(H,19,20)
InChIKeyOAZQVAOPCOHNKT-UHFFFAOYSA-N
XLogP2.24
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98514685
N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906596
2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid
CID 24701586
N-(1,2,3,4-tetrahydroquinolin-7-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 63929364
N-(3-sulfamoylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 60635841
N-(4-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 13416955
(1R,2R,4S)-N-(3-cyanophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98368145
(E)-3-[3-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)phenyl]prop-2-enoic acid
CID 115339095
2-hydroxy-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192489
(1R,2S,4S)-N-[4-(3-methylbutanoylamino)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98273326
N-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 103809869
2-hydroxy-5-[(2-octylcyclopropanecarbonyl)amino]benzoic acid
CID 46500949

Frequently Asked Questions

What is the IUPAC name of 5-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxybenzoic acid?
The IUPAC name of 5-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxybenzoic acid (CID 24704021) is 5-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxybenzoic acid is O=C(O)c1cc(NC(=O)C2CC3C=CC2C3)ccc1O.
What is the InChIKey of 5-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxybenzoic acid?
The InChIKey is OAZQVAOPCOHNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-13-4-3-10(7-12(13)15(19)20)16-14(18)11-6-8-1-2-9(11)5-8/h1-4,7-9,11,17H,5-6H2,(H,16,18)(H,19,20).
What are the key properties of 5-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxybenzoic acid?
5-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxybenzoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxybenzoic acid is sourced from PubChem (CID 24704021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).