2-amino-4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid

C9H11NO4S — CID 70297607

IUPAC2-amino-4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid
SMILESCCOC(=O)Cc1csc(N)c1C(=O)O
InChIInChI=1S/C9H11NO4S/c1-2-14-6(11)3-5-4-15-8(10)7(5)9(12)13/h4H,2-3,10H2,1H3,(H,12,13)
InChIKeyQFPSNWQSEOUUEI-UHFFFAOYSA-N
MW229.26 g/mol
LogP1.13
Rot. Bonds4

About 2-amino-4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid

2-amino-4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid (PubChem CID 70297607) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-amino-4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid
PubChem CID70297607
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name2-amino-4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid
SMILESCCOC(=O)Cc1csc(N)c1C(=O)O
InChIInChI=1S/C9H11NO4S/c1-2-14-6(11)3-5-4-15-8(10)7(5)9(12)13/h4H,2-3,10H2,1H3,(H,12,13)
InChIKeyQFPSNWQSEOUUEI-UHFFFAOYSA-N
XLogP1.13
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[5-amino-4-(diethylcarbamoyl)thiophen-3-yl]acetate
CID 82056861
ethyl 2-[5-amino-4-(propan-2-ylcarbamoyl)thiophen-3-yl]acetate
CID 82056859
ethyl 2-amino-4-(fluoromethyl)thiophene-3-carboxylate
CID 70892196
ethyl 2-amino-4-(methylperoxymethyl)thiophene-3-carboxylate
CID 89176401
4-(carboxymethyl)thiophene-3-carboxylic acid;4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid
CID 159092743
methyl 2-amino-4-propylthiophene-3-carboxylate
CID 10559922
ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride
CID 163326154
2-(2-ethoxy-2-oxoethyl)-4-methylfuran-3-carboxylic acid
CID 67511171
2-(2-ethoxy-2-oxoethyl)benzoic acid
CID 11367771
ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride
CID 170911124
5-bromo-4-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylic acid
CID 91394564
ethyl 2-[4-hydroxy-3-(trifluoromethyl)thiophen-2-yl]acetate
CID 19087801

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid?
The IUPAC name of 2-amino-4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid (CID 70297607) is 2-amino-4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-amino-4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-amino-4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid is CCOC(=O)Cc1csc(N)c1C(=O)O.
What is the InChIKey of 2-amino-4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid?
The InChIKey is QFPSNWQSEOUUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-2-14-6(11)3-5-4-15-8(10)7(5)9(12)13/h4H,2-3,10H2,1H3,(H,12,13).
What are the key properties of 2-amino-4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid?
2-amino-4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid has a molecular weight of 229.26 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 70297607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).