2-amino-3-(furan-2-yl)benzoic acid

C11H9NO3 — CID 10798178

IUPAC2-amino-3-(furan-2-yl)benzoic acid
SMILESNc1c(C(=O)O)cccc1-c1ccco1
InChIInChI=1S/C11H9NO3/c12-10-7(9-5-2-6-15-9)3-1-4-8(10)11(13)14/h1-6H,12H2,(H,13,14)
InChIKeyLDTKCILARCUDQO-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.23
Rot. Bonds2

About 2-amino-3-(furan-2-yl)benzoic acid

2-amino-3-(furan-2-yl)benzoic acid (PubChem CID 10798178) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-amino-3-(furan-2-yl)benzoic acid.

Molecular Properties

Compound Name2-amino-3-(furan-2-yl)benzoic acid
PubChem CID10798178
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-amino-3-(furan-2-yl)benzoic acid
SMILESNc1c(C(=O)O)cccc1-c1ccco1
InChIInChI=1S/C11H9NO3/c12-10-7(9-5-2-6-15-9)3-1-4-8(10)11(13)14/h1-6H,12H2,(H,13,14)
InChIKeyLDTKCILARCUDQO-UHFFFAOYSA-N
XLogP2.23
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-aminobenzene-1,3-dicarboxylic acid;cobalt
CID 174944347
2-amino-3-(2,6-dimethylphenyl)benzoic acid
CID 70207656
3-fluoro-2-(furan-2-yl)benzoic acid
CID 168524438
6-amino-3-(furan-2-yl)pyridine-2-carboxylic acid
CID 53229114
2-bromo-5-(furan-2-yl)-4-methylbenzoic acid
CID 168525376
2-amino-3-[2-amino-3-(propan-2-ylcarbamoyl)phenyl]benzoic acid
CID 141245563
2-(furan-2-yl)furan-3,4-dicarboxylic acid
CID 153344951
2-[5-amino-4-(furan-2-yl)triazol-1-yl]benzoic acid
CID 82370818
(4-chlorophenyl)-[2-(furan-2-yl)phenyl]methanone
CID 168524484
(4-bromophenyl)-[2-(furan-2-yl)phenyl]methanone
CID 168524602
2-amino-3-methylbenzoic acid;azane
CID 69400013
5-amino-4-(furan-2-yl)-1H-pyridazin-6-one
CID 117127370

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(furan-2-yl)benzoic acid?
The IUPAC name of 2-amino-3-(furan-2-yl)benzoic acid (CID 10798178) is 2-amino-3-(furan-2-yl)benzoic acid.
What is the SMILES notation for 2-amino-3-(furan-2-yl)benzoic acid?
The canonical SMILES for 2-amino-3-(furan-2-yl)benzoic acid is Nc1c(C(=O)O)cccc1-c1ccco1.
What is the InChIKey of 2-amino-3-(furan-2-yl)benzoic acid?
The InChIKey is LDTKCILARCUDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c12-10-7(9-5-2-6-15-9)3-1-4-8(10)11(13)14/h1-6H,12H2,(H,13,14).
What are the key properties of 2-amino-3-(furan-2-yl)benzoic acid?
2-amino-3-(furan-2-yl)benzoic acid has a molecular weight of 203.20 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(furan-2-yl)benzoic acid is sourced from PubChem (CID 10798178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).