5-amino-2-methyl-1-benzofuran-3-carboxylic acid

C10H9NO3 — CID 130670349

IUPAC5-amino-2-methyl-1-benzofuran-3-carboxylic acid
SMILESCc1oc2ccc(N)cc2c1C(=O)O
InChIInChI=1S/C10H9NO3/c1-5-9(10(12)13)7-4-6(11)2-3-8(7)14-5/h2-4H,11H2,1H3,(H,12,13)
InChIKeyOGQVYOOKRMWLPE-UHFFFAOYSA-N
MW191.19 g/mol
LogP2.02
Rot. Bonds1

About 5-amino-2-methyl-1-benzofuran-3-carboxylic acid

5-amino-2-methyl-1-benzofuran-3-carboxylic acid (PubChem CID 130670349) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-amino-2-methyl-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-methyl-1-benzofuran-3-carboxylic acid
PubChem CID130670349
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name5-amino-2-methyl-1-benzofuran-3-carboxylic acid
SMILESCc1oc2ccc(N)cc2c1C(=O)O
InChIInChI=1S/C10H9NO3/c1-5-9(10(12)13)7-4-6(11)2-3-8(7)14-5/h2-4H,11H2,1H3,(H,12,13)
InChIKeyOGQVYOOKRMWLPE-UHFFFAOYSA-N
XLogP2.02
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 52.02
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

5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid
CID 177038641
5-[(1S)-1-carboxyethoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 854526
6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid
CID 22143529
2-methyl-5-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxylic acid
CID 177038682
ethyl 2-(5-amino-2-methyl-1-benzofuran-3-yl)acetate
CID 89265428
5-[cyclopropyl(dideuterio)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 178129111
2-methyl-5-(propylsulfonylamino)-1-benzofuran-3-carboxylic acid
CID 28916619
5-[(R)-carboxy(phenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 801057
5-hydroxy-6-iodo-2-methyl-1-benzofuran-3-carboxylic acid
CID 121472735
5-[(cyclopentylamino)methyl]-2-methyl-1-benzofuran-3-carboxylic acid
CID 177038610
5-[(2,6-dichlorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 988870
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163380318

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-1-benzofuran-3-carboxylic acid?
The IUPAC name of 5-amino-2-methyl-1-benzofuran-3-carboxylic acid (CID 130670349) is 5-amino-2-methyl-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-methyl-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 5-amino-2-methyl-1-benzofuran-3-carboxylic acid is Cc1oc2ccc(N)cc2c1C(=O)O.
What is the InChIKey of 5-amino-2-methyl-1-benzofuran-3-carboxylic acid?
The InChIKey is OGQVYOOKRMWLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-5-9(10(12)13)7-4-6(11)2-3-8(7)14-5/h2-4H,11H2,1H3,(H,12,13).
What are the key properties of 5-amino-2-methyl-1-benzofuran-3-carboxylic acid?
5-amino-2-methyl-1-benzofuran-3-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 130670349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).