2-amino-2-(4,5-dimethylthiophen-2-yl)acetic acid

C8H11NO2S — CID 46885536

IUPAC2-amino-2-(4,5-dimethylthiophen-2-yl)acetic acid
SMILESCc1cc(C(N)C(=O)O)sc1C
InChIInChI=1S/C8H11NO2S/c1-4-3-6(12-5(4)2)7(9)8(10)11/h3,7H,9H2,1-2H3,(H,10,11)
InChIKeyOCYGIQDKUZGLJE-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.45
Rot. Bonds2

About 2-amino-2-(4,5-dimethylthiophen-2-yl)acetic acid

2-amino-2-(4,5-dimethylthiophen-2-yl)acetic acid (PubChem CID 46885536) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-amino-2-(4,5-dimethylthiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4,5-dimethylthiophen-2-yl)acetic acid
PubChem CID46885536
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-amino-2-(4,5-dimethylthiophen-2-yl)acetic acid
SMILESCc1cc(C(N)C(=O)O)sc1C
InChIInChI=1S/C8H11NO2S/c1-4-3-6(12-5(4)2)7(9)8(10)11/h3,7H,9H2,1-2H3,(H,10,11)
InChIKeyOCYGIQDKUZGLJE-UHFFFAOYSA-N
XLogP1.45
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-(4,5-dimethylthiophen-2-yl)acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4,5-dimethylthiophen-2-yl)acetic acid?
The IUPAC name of 2-amino-2-(4,5-dimethylthiophen-2-yl)acetic acid (CID 46885536) is 2-amino-2-(4,5-dimethylthiophen-2-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(4,5-dimethylthiophen-2-yl)acetic acid?
The canonical SMILES for 2-amino-2-(4,5-dimethylthiophen-2-yl)acetic acid is Cc1cc(C(N)C(=O)O)sc1C.
What is the InChIKey of 2-amino-2-(4,5-dimethylthiophen-2-yl)acetic acid?
The InChIKey is OCYGIQDKUZGLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-4-3-6(12-5(4)2)7(9)8(10)11/h3,7H,9H2,1-2H3,(H,10,11).
What are the key properties of 2-amino-2-(4,5-dimethylthiophen-2-yl)acetic acid?
2-amino-2-(4,5-dimethylthiophen-2-yl)acetic acid has a molecular weight of 185.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4,5-dimethylthiophen-2-yl)acetic acid is sourced from PubChem (CID 46885536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).