2-methyl-3-(thiophen-3-ylamino)propanoic acid

C8H11NO2S — CID 66351281

IUPAC2-methyl-3-(thiophen-3-ylamino)propanoic acid
SMILESCC(CNc1ccsc1)C(=O)O
InChIInChI=1S/C8H11NO2S/c1-6(8(10)11)4-9-7-2-3-12-5-7/h2-3,5-6,9H,4H2,1H3,(H,10,11)
InChIKeyXHLLXLQNSPLXRR-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.88
Rot. Bonds4

About 2-methyl-3-(thiophen-3-ylamino)propanoic acid

2-methyl-3-(thiophen-3-ylamino)propanoic acid (PubChem CID 66351281) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-methyl-3-(thiophen-3-ylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(thiophen-3-ylamino)propanoic acid
PubChem CID66351281
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-methyl-3-(thiophen-3-ylamino)propanoic acid
SMILESCC(CNc1ccsc1)C(=O)O
InChIInChI=1S/C8H11NO2S/c1-6(8(10)11)4-9-7-2-3-12-5-7/h2-3,5-6,9H,4H2,1H3,(H,10,11)
InChIKeyXHLLXLQNSPLXRR-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-(thiophen-3-ylamino)propanoic 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-methyl-3-(thiophen-3-ylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(thiophen-3-ylamino)propanoic acid (CID 66351281) is 2-methyl-3-(thiophen-3-ylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(thiophen-3-ylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(thiophen-3-ylamino)propanoic acid is CC(CNc1ccsc1)C(=O)O.
What is the InChIKey of 2-methyl-3-(thiophen-3-ylamino)propanoic acid?
The InChIKey is XHLLXLQNSPLXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-6(8(10)11)4-9-7-2-3-12-5-7/h2-3,5-6,9H,4H2,1H3,(H,10,11).
What are the key properties of 2-methyl-3-(thiophen-3-ylamino)propanoic acid?
2-methyl-3-(thiophen-3-ylamino)propanoic acid has a molecular weight of 185.25 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(thiophen-3-ylamino)propanoic acid is sourced from PubChem (CID 66351281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).