2-(2-thiophen-2-ylanilino)propanoic acid

C13H13NO2S — CID 66173526

IUPAC2-(2-thiophen-2-ylanilino)propanoic acid
SMILESCC(Nc1ccccc1-c1cccs1)C(=O)O
InChIInChI=1S/C13H13NO2S/c1-9(13(15)16)14-11-6-3-2-5-10(11)12-7-4-8-17-12/h2-9,14H,1H3,(H,15,16)
InChIKeyNOYGKXNSAJXDLS-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.30
Rot. Bonds4

About 2-(2-thiophen-2-ylanilino)propanoic acid

2-(2-thiophen-2-ylanilino)propanoic acid (PubChem CID 66173526) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylanilino)propanoic acid.

Molecular Properties

Compound Name2-(2-thiophen-2-ylanilino)propanoic acid
PubChem CID66173526
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name2-(2-thiophen-2-ylanilino)propanoic acid
SMILESCC(Nc1ccccc1-c1cccs1)C(=O)O
InChIInChI=1S/C13H13NO2S/c1-9(13(15)16)14-11-6-3-2-5-10(11)12-7-4-8-17-12/h2-9,14H,1H3,(H,15,16)
InChIKeyNOYGKXNSAJXDLS-UHFFFAOYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-oxo-5-(2-thiophen-2-ylanilino)pentanoic acid
CID 62966107
2-methyl-3-(methylamino)-N-(2-thiophen-2-ylphenyl)propanamide
CID 79195857
N-heptan-4-yl-2-thiophen-2-ylaniline
CID 43724523
2-[(6-thiophen-2-ylpyridazin-3-yl)amino]propanoic acid
CID 82087110
N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 17412743
N-(dicyclopropylmethyl)-2-thiophen-2-ylaniline
CID 43724543
(E)-4-oxo-4-(2-thiophen-2-ylanilino)but-2-enoic acid
CID 54868450
2-(2-aminoanilino)propanoic acid
CID 67237083
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylaniline
CID 43724564
2-(4-methoxyphenoxy)-N-(2-thiophen-2-ylphenyl)propanamide
CID 51327828
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-thiophen-2-ylaniline
CID 43724573
methyl 2-(2-phenylanilino)propanoate
CID 54941069

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylanilino)propanoic acid?
The IUPAC name of 2-(2-thiophen-2-ylanilino)propanoic acid (CID 66173526) is 2-(2-thiophen-2-ylanilino)propanoic acid.
What is the SMILES notation for 2-(2-thiophen-2-ylanilino)propanoic acid?
The canonical SMILES for 2-(2-thiophen-2-ylanilino)propanoic acid is CC(Nc1ccccc1-c1cccs1)C(=O)O.
What is the InChIKey of 2-(2-thiophen-2-ylanilino)propanoic acid?
The InChIKey is NOYGKXNSAJXDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-9(13(15)16)14-11-6-3-2-5-10(11)12-7-4-8-17-12/h2-9,14H,1H3,(H,15,16).
What are the key properties of 2-(2-thiophen-2-ylanilino)propanoic acid?
2-(2-thiophen-2-ylanilino)propanoic acid has a molecular weight of 247.32 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylanilino)propanoic acid is sourced from PubChem (CID 66173526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).