2-[(2-methoxyacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid

C10H13NO4S — CID 16777210

IUPAC2-[(2-methoxyacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCOCC(=O)Nc1sc(C)c(C)c1C(=O)O
InChIInChI=1S/C10H13NO4S/c1-5-6(2)16-9(8(5)10(13)14)11-7(12)4-15-3/h4H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyOAIYCEYDKKSRQN-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.65
Rot. Bonds4

About 2-[(2-methoxyacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid

2-[(2-methoxyacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid (PubChem CID 16777210) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-[(2-methoxyacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxyacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
PubChem CID16777210
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-[(2-methoxyacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCOCC(=O)Nc1sc(C)c(C)c1C(=O)O
InChIInChI=1S/C10H13NO4S/c1-5-6(2)16-9(8(5)10(13)14)11-7(12)4-15-3/h4H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyOAIYCEYDKKSRQN-UHFFFAOYSA-N
XLogP1.65
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(2-methoxyacetyl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 8018665
2-(2-methoxyethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 63113507
2-(heptanoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 43356752
2-[[2-[acetyl(methyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 43356725
4,5-dimethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylic acid
CID 114873583
2-[(4-methoxy-4-oxobutyl)carbamoylamino]-4,5-dimethylthiophene-3-carboxylic acid
CID 63114240
4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-carboxylic acid
CID 55219459
2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 28858443
2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4,5-dimethylthiophene-3-carboxylic acid
CID 65048117
2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 63114330
4,5-dimethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylic acid
CID 28778288
2-[(3-hydroxy-4-methoxybutyl)carbamoylamino]-4,5-dimethylthiophene-3-carboxylic acid
CID 106248370

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(2-methoxyacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid (CID 16777210) is 2-[(2-methoxyacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxyacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2-methoxyacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid is COCC(=O)Nc1sc(C)c(C)c1C(=O)O.
What is the InChIKey of 2-[(2-methoxyacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The InChIKey is OAIYCEYDKKSRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-5-6(2)16-9(8(5)10(13)14)11-7(12)4-15-3/h4H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(2-methoxyacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
2-[(2-methoxyacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid has a molecular weight of 243.28 g/mol, XLogP of 1.65, 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]-4,5-dimethylthiophene-3-carboxylic acid is sourced from PubChem (CID 16777210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).