2-(2-acetamidothiophen-3-yl)acetic acid

C8H9NO3S — CID 69450686

IUPAC2-(2-acetamidothiophen-3-yl)acetic acid
SMILESCC(=O)Nc1sccc1CC(=O)O
InChIInChI=1S/C8H9NO3S/c1-5(10)9-8-6(2-3-13-8)4-7(11)12/h2-3H,4H2,1H3,(H,9,10)(H,11,12)
InChIKeyWQGBVRBBXYLLMT-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.33
Rot. Bonds3

About 2-(2-acetamidothiophen-3-yl)acetic acid

2-(2-acetamidothiophen-3-yl)acetic acid (PubChem CID 69450686) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-(2-acetamidothiophen-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-acetamidothiophen-3-yl)acetic acid
PubChem CID69450686
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name2-(2-acetamidothiophen-3-yl)acetic acid
SMILESCC(=O)Nc1sccc1CC(=O)O
InChIInChI=1S/C8H9NO3S/c1-5(10)9-8-6(2-3-13-8)4-7(11)12/h2-3H,4H2,1H3,(H,9,10)(H,11,12)
InChIKeyWQGBVRBBXYLLMT-UHFFFAOYSA-N
XLogP1.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidothiophen-3-yl)acetic acid?
The IUPAC name of 2-(2-acetamidothiophen-3-yl)acetic acid (CID 69450686) is 2-(2-acetamidothiophen-3-yl)acetic acid.
What is the SMILES notation for 2-(2-acetamidothiophen-3-yl)acetic acid?
The canonical SMILES for 2-(2-acetamidothiophen-3-yl)acetic acid is CC(=O)Nc1sccc1CC(=O)O.
What is the InChIKey of 2-(2-acetamidothiophen-3-yl)acetic acid?
The InChIKey is WQGBVRBBXYLLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-5(10)9-8-6(2-3-13-8)4-7(11)12/h2-3H,4H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-(2-acetamidothiophen-3-yl)acetic acid?
2-(2-acetamidothiophen-3-yl)acetic acid has a molecular weight of 199.23 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidothiophen-3-yl)acetic acid is sourced from PubChem (CID 69450686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).