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

C13H11NO5 — CID 114818932

IUPAC5-hydroxy-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2ccc(O)cc2C(=O)O)co1
InChIInChI=1S/C13H11NO5/c1-7-4-8(6-19-7)12(16)14-11-3-2-9(15)5-10(11)13(17)18/h2-6,15H,1H3,(H,14,16)(H,17,18)
InChIKeyFFISYVXVKJAXIK-UHFFFAOYSA-N
MW261.23 g/mol
LogP2.24
Rot. Bonds3

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

5-hydroxy-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid (PubChem CID 114818932) has the molecular formula C13H11NO5 and a molecular weight of 261.23 g/mol. Its IUPAC name is 5-hydroxy-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid
PubChem CID114818932
Molecular FormulaC13H11NO5
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name5-hydroxy-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2ccc(O)cc2C(=O)O)co1
InChIInChI=1S/C13H11NO5/c1-7-4-8(6-19-7)12(16)14-11-3-2-9(15)5-10(11)13(17)18/h2-6,15H,1H3,(H,14,16)(H,17,18)
InChIKeyFFISYVXVKJAXIK-UHFFFAOYSA-N
XLogP2.24
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_F(2)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818783
2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818768
N-(3-hydroxyphenyl)-5-methylfuran-3-carboxamide
CID 877422
methyl 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]benzoate
CID 114822092
2-[(3-fluoro-4-methylbenzoyl)amino]-5-hydroxybenzoic acid
CID 61405723
5-[(5-methylfuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 114818831
2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-hydroxybenzoic acid
CID 66127110
2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid
CID 107702371
N-(4-amino-2-chlorophenyl)-5-methylfuran-3-carboxamide
CID 114818567
2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid
CID 24700759
2-[(2,3-dimethylbenzoyl)amino]-5-hydroxybenzoic acid
CID 61405897
5-methyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 114818997

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid?
The IUPAC name of 5-hydroxy-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid (CID 114818932) is 5-hydroxy-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-hydroxy-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-hydroxy-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid is Cc1cc(C(=O)Nc2ccc(O)cc2C(=O)O)co1.
What is the InChIKey of 5-hydroxy-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid?
The InChIKey is FFISYVXVKJAXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5/c1-7-4-8(6-19-7)12(16)14-11-3-2-9(15)5-10(11)13(17)18/h2-6,15H,1H3,(H,14,16)(H,17,18).
What are the key properties of 5-hydroxy-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid?
5-hydroxy-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid has a molecular weight of 261.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 114818932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).