5-[2-(methoxyamino)ethenyl]thiophene-2-carboxylic acid

C8H9NO3S — CID 56622161

IUPAC5-[2-(methoxyamino)ethenyl]thiophene-2-carboxylic acid
SMILESCONC=Cc1ccc(C(=O)O)s1
InChIInChI=1S/C8H9NO3S/c1-12-9-5-4-6-2-3-7(13-6)8(10)11/h2-5,9H,1H3,(H,10,11)
InChIKeyGKIBZKBJCSGJET-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.57
Rot. Bonds4

About 5-[2-(methoxyamino)ethenyl]thiophene-2-carboxylic acid

5-[2-(methoxyamino)ethenyl]thiophene-2-carboxylic acid (PubChem CID 56622161) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 5-[2-(methoxyamino)ethenyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(methoxyamino)ethenyl]thiophene-2-carboxylic acid
PubChem CID56622161
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name5-[2-(methoxyamino)ethenyl]thiophene-2-carboxylic acid
SMILESCONC=Cc1ccc(C(=O)O)s1
InChIInChI=1S/C8H9NO3S/c1-12-9-5-4-6-2-3-7(13-6)8(10)11/h2-5,9H,1H3,(H,10,11)
InChIKeyGKIBZKBJCSGJET-UHFFFAOYSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.57
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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Frequently Asked Questions

What is the IUPAC name of 5-[2-(methoxyamino)ethenyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-(methoxyamino)ethenyl]thiophene-2-carboxylic acid (CID 56622161) is 5-[2-(methoxyamino)ethenyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-(methoxyamino)ethenyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-(methoxyamino)ethenyl]thiophene-2-carboxylic acid is CONC=Cc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[2-(methoxyamino)ethenyl]thiophene-2-carboxylic acid?
The InChIKey is GKIBZKBJCSGJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-12-9-5-4-6-2-3-7(13-6)8(10)11/h2-5,9H,1H3,(H,10,11).
What are the key properties of 5-[2-(methoxyamino)ethenyl]thiophene-2-carboxylic acid?
5-[2-(methoxyamino)ethenyl]thiophene-2-carboxylic acid has a molecular weight of 199.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methoxyamino)ethenyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 56622161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).