3-thiophen-2-yl-3-(1-thiophen-3-ylethylamino)propanoic acid

C13H15NO2S2 — CID 62090331

IUPAC3-thiophen-2-yl-3-(1-thiophen-3-ylethylamino)propanoic acid
SMILESCC(NC(CC(=O)O)c1cccs1)c1ccsc1
InChIInChI=1S/C13H15NO2S2/c1-9(10-4-6-17-8-10)14-11(7-13(15)16)12-3-2-5-18-12/h2-6,8-9,11,14H,7H2,1H3,(H,15,16)
InChIKeyRJSADRLIKXIKDQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.68
Rot. Bonds6

About 3-thiophen-2-yl-3-(1-thiophen-3-ylethylamino)propanoic acid

3-thiophen-2-yl-3-(1-thiophen-3-ylethylamino)propanoic acid (PubChem CID 62090331) has the molecular formula C13H15NO2S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-thiophen-2-yl-3-(1-thiophen-3-ylethylamino)propanoic acid.

Molecular Properties

Compound Name3-thiophen-2-yl-3-(1-thiophen-3-ylethylamino)propanoic acid
PubChem CID62090331
Molecular FormulaC13H15NO2S2
Molecular Weight281.40 g/mol
Exact Mass281.05
IUPAC Name3-thiophen-2-yl-3-(1-thiophen-3-ylethylamino)propanoic acid
SMILESCC(NC(CC(=O)O)c1cccs1)c1ccsc1
InChIInChI=1S/C13H15NO2S2/c1-9(10-4-6-17-8-10)14-11(7-13(15)16)12-3-2-5-18-12/h2-6,8-9,11,14H,7H2,1H3,(H,15,16)
InChIKeyRJSADRLIKXIKDQ-UHFFFAOYSA-N
XLogP3.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(1,3-thiazol-4-yl)ethylamino]-3-thiophen-2-ylpropanoic acid
CID 113486874
3-(3-methylbutan-2-ylamino)-3-thiophen-2-ylpropanoic acid
CID 43727724
1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398257
3-[1-(5-methylthiophen-2-yl)ethylamino]-3-thiophen-2-ylpropanoic acid
CID 43727716
3-[1-(2,4-dihydroxyphenyl)ethylamino]-3-thiophen-2-ylpropanoic acid
CID 43727749
3-(2-chloropropanoylamino)-3-thiophen-2-ylpropanoic acid
CID 43700897
3-phenyl-3-(2-thiophen-3-ylpropanoylamino)propanoic acid
CID 75513225
3-(dicyclopropylmethylamino)-3-thiophen-2-ylpropanoic acid
CID 43727742
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
N-methyl-2-(1-thiophen-3-ylethylamino)propanamide
CID 62089126
3-[(2-amino-2-methylpropanoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 61266982
3-(butanoylamino)-3-thiophen-2-ylpropanoic acid
CID 60750131

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-3-(1-thiophen-3-ylethylamino)propanoic acid?
The IUPAC name of 3-thiophen-2-yl-3-(1-thiophen-3-ylethylamino)propanoic acid (CID 62090331) is 3-thiophen-2-yl-3-(1-thiophen-3-ylethylamino)propanoic acid.
What is the SMILES notation for 3-thiophen-2-yl-3-(1-thiophen-3-ylethylamino)propanoic acid?
The canonical SMILES for 3-thiophen-2-yl-3-(1-thiophen-3-ylethylamino)propanoic acid is CC(NC(CC(=O)O)c1cccs1)c1ccsc1.
What is the InChIKey of 3-thiophen-2-yl-3-(1-thiophen-3-ylethylamino)propanoic acid?
The InChIKey is RJSADRLIKXIKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S2/c1-9(10-4-6-17-8-10)14-11(7-13(15)16)12-3-2-5-18-12/h2-6,8-9,11,14H,7H2,1H3,(H,15,16).
What are the key properties of 3-thiophen-2-yl-3-(1-thiophen-3-ylethylamino)propanoic acid?
3-thiophen-2-yl-3-(1-thiophen-3-ylethylamino)propanoic acid has a molecular weight of 281.40 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-3-(1-thiophen-3-ylethylamino)propanoic acid is sourced from PubChem (CID 62090331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).