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

C13H12N2O4 — CID 63115795

IUPAC5-amino-2-[(3-methylfuran-2-carbonyl)amino]benzoic acid
SMILESCc1ccoc1C(=O)Nc1ccc(N)cc1C(=O)O
InChIInChI=1S/C13H12N2O4/c1-7-4-5-19-11(7)12(16)15-10-3-2-8(14)6-9(10)13(17)18/h2-6H,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyKAPCNWPEZNZDSX-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.12
Rot. Bonds3

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

5-amino-2-[(3-methylfuran-2-carbonyl)amino]benzoic acid (PubChem CID 63115795) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-amino-2-[(3-methylfuran-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[(3-methylfuran-2-carbonyl)amino]benzoic acid
PubChem CID63115795
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name5-amino-2-[(3-methylfuran-2-carbonyl)amino]benzoic acid
SMILESCc1ccoc1C(=O)Nc1ccc(N)cc1C(=O)O
InChIInChI=1S/C13H12N2O4/c1-7-4-5-19-11(7)12(16)15-10-3-2-8(14)6-9(10)13(17)18/h2-6H,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyKAPCNWPEZNZDSX-UHFFFAOYSA-N
XLogP2.12
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methylfuran-2-carbonyl)amino]-5-nitrobenzoic acid
CID 16775849
N-(4-aminophenyl)-3-methylfuran-2-carboxamide
CID 16772874
5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid
CID 63115622
5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid
CID 65237727
5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 82808977
5-methyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63615336
5-amino-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 79981158
5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid
CID 81111004
N-(4-fluoro-2-iodophenyl)-3-methylfuran-2-carboxamide
CID 79766212
5-amino-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 66128596
5-amino-2-(methylamino)benzoic acid
CID 19006283
5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid
CID 63115662

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-methylfuran-2-carbonyl)amino]benzoic acid?
The IUPAC name of 5-amino-2-[(3-methylfuran-2-carbonyl)amino]benzoic acid (CID 63115795) is 5-amino-2-[(3-methylfuran-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-amino-2-[(3-methylfuran-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-amino-2-[(3-methylfuran-2-carbonyl)amino]benzoic acid is Cc1ccoc1C(=O)Nc1ccc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-[(3-methylfuran-2-carbonyl)amino]benzoic acid?
The InChIKey is KAPCNWPEZNZDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-7-4-5-19-11(7)12(16)15-10-3-2-8(14)6-9(10)13(17)18/h2-6H,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-amino-2-[(3-methylfuran-2-carbonyl)amino]benzoic acid?
5-amino-2-[(3-methylfuran-2-carbonyl)amino]benzoic acid has a molecular weight of 260.25 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-methylfuran-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63115795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).