2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid

C8H9NO4S — CID 16772284

IUPAC2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid
SMILESCOCC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C8H9NO4S/c1-13-4-6(10)9-7-5(8(11)12)2-3-14-7/h2-3H,4H2,1H3,(H,9,10)(H,11,12)
InChIKeyIRJKECZQRAEGET-UHFFFAOYSA-N
MW215.23 g/mol
LogP1.03
Rot. Bonds4

About 2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid

2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid (PubChem CID 16772284) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid
PubChem CID16772284
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid
SMILESCOCC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C8H9NO4S/c1-13-4-6(10)9-7-5(8(11)12)2-3-14-7/h2-3H,4H2,1H3,(H,9,10)(H,11,12)
InChIKeyIRJKECZQRAEGET-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 43357234
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 43171497
2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 55178855
2-[2-(2-methoxyethoxy)ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114663
2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 43357394
2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114506
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
CID 66475692
2-[[2-(3-bromophenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 43171472
2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylic acid
CID 66156725
2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid
CID 167926285
2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114576
2-[3-(2,2-dimethylpropanoylamino)propanoylamino]thiophene-3-carboxylic acid
CID 43357239

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid (CID 16772284) is 2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid is COCC(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid?
The InChIKey is IRJKECZQRAEGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-13-4-6(10)9-7-5(8(11)12)2-3-14-7/h2-3H,4H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid?
2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid has a molecular weight of 215.23 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 16772284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).