5-[(methoxyamino)methyl]-1-benzofuran-2-carboxylic acid

C11H11NO4 — CID 103254337

IUPAC5-[(methoxyamino)methyl]-1-benzofuran-2-carboxylic acid
SMILESCONCc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C11H11NO4/c1-15-12-6-7-2-3-9-8(4-7)5-10(16-9)11(13)14/h2-5,12H,6H2,1H3,(H,13,14)
InChIKeyLYMSRJYVBMAIOO-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.78
Rot. Bonds4

About 5-[(methoxyamino)methyl]-1-benzofuran-2-carboxylic acid

5-[(methoxyamino)methyl]-1-benzofuran-2-carboxylic acid (PubChem CID 103254337) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 5-[(methoxyamino)methyl]-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(methoxyamino)methyl]-1-benzofuran-2-carboxylic acid
PubChem CID103254337
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name5-[(methoxyamino)methyl]-1-benzofuran-2-carboxylic acid
SMILESCONCc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C11H11NO4/c1-15-12-6-7-2-3-9-8(4-7)5-10(16-9)11(13)14/h2-5,12H,6H2,1H3,(H,13,14)
InChIKeyLYMSRJYVBMAIOO-UHFFFAOYSA-N
XLogP1.78
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 106191024
5-[(4-methylanilino)methyl]-1-benzofuran-2-carboxylic acid
CID 103234858
5-[[2-(diethylamino)ethylamino]methyl]-1-benzofuran-2-carboxylic acid
CID 103234103
5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-1-benzofuran-2-carboxylic acid
CID 107853984
N-methoxy-1-[2-(trifluoromethyl)-1-benzofuran-5-yl]methanamine
CID 117364183
5-[(2-methoxy-2-oxoethyl)sulfonylmethyl]-1-benzofuran-2-carboxylic acid
CID 65293754
5-(butoxymethyl)-1-benzofuran-2-carboxylic acid
CID 65293465
5-[(2-methylsulfanylpropylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103265483
5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]-1-benzofuran-2-carboxylic acid
CID 103239119
methyl 5-ethyl-1-benzofuran-2-carboxylate
CID 121014658
5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1-benzofuran-2-carboxylic acid
CID 106373614
5-[(2-iodoanilino)methyl]-1-benzofuran-2-carboxylic acid
CID 103236995

Frequently Asked Questions

What is the IUPAC name of 5-[(methoxyamino)methyl]-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-[(methoxyamino)methyl]-1-benzofuran-2-carboxylic acid (CID 103254337) is 5-[(methoxyamino)methyl]-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-[(methoxyamino)methyl]-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-[(methoxyamino)methyl]-1-benzofuran-2-carboxylic acid is CONCc1ccc2oc(C(=O)O)cc2c1.
What is the InChIKey of 5-[(methoxyamino)methyl]-1-benzofuran-2-carboxylic acid?
The InChIKey is LYMSRJYVBMAIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-15-12-6-7-2-3-9-8(4-7)5-10(16-9)11(13)14/h2-5,12H,6H2,1H3,(H,13,14).
What are the key properties of 5-[(methoxyamino)methyl]-1-benzofuran-2-carboxylic acid?
5-[(methoxyamino)methyl]-1-benzofuran-2-carboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(methoxyamino)methyl]-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 103254337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).