3-(1H-indol-3-yl)-2-thiophen-2-ylpropanoic acid

C15H13NO2S — CID 82021366

IUPAC3-(1H-indol-3-yl)-2-thiophen-2-ylpropanoic acid
SMILESO=C(O)C(Cc1c[nH]c2ccccc12)c1cccs1
InChIInChI=1S/C15H13NO2S/c17-15(18)12(14-6-3-7-19-14)8-10-9-16-13-5-2-1-4-11(10)13/h1-7,9,12,16H,8H2,(H,17,18)
InChIKeyCYLNRCYDXDEBPQ-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.64
Rot. Bonds4

About 3-(1H-indol-3-yl)-2-thiophen-2-ylpropanoic acid

3-(1H-indol-3-yl)-2-thiophen-2-ylpropanoic acid (PubChem CID 82021366) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-thiophen-2-ylpropanoic acid
PubChem CID82021366
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name3-(1H-indol-3-yl)-2-thiophen-2-ylpropanoic acid
SMILESO=C(O)C(Cc1c[nH]c2ccccc12)c1cccs1
InChIInChI=1S/C15H13NO2S/c17-15(18)12(14-6-3-7-19-14)8-10-9-16-13-5-2-1-4-11(10)13/h1-7,9,12,16H,8H2,(H,17,18)
InChIKeyCYLNRCYDXDEBPQ-UHFFFAOYSA-N
XLogP3.64
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(1H-indol-3-yl)-2-thiophen-2-ylpropanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-(1H-indol-3-yl)-2-phenylpropanoic acid
CID 71683616
[1-carboxy-2-(1H-indol-3-yl)ethyl]azanium
CID 5460842
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306
CID 70188356
CID 70188356
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
CID 175305655
2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
CID 86010535
(2R)-3-(1H-indol-3-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]propan-1-ol
CID 97232173
(2R)-3-(hydroxyamino)-2-(1H-indol-3-ylmethyl)-3-oxopropanoic acid
CID 21014124
(2S)-3-(1H-indol-3-yl)-2-methylsulfanylpropanoic acid
CID 167000700
(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 159251038

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-thiophen-2-ylpropanoic acid?
The IUPAC name of 3-(1H-indol-3-yl)-2-thiophen-2-ylpropanoic acid (CID 82021366) is 3-(1H-indol-3-yl)-2-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-thiophen-2-ylpropanoic acid?
The canonical SMILES for 3-(1H-indol-3-yl)-2-thiophen-2-ylpropanoic acid is O=C(O)C(Cc1c[nH]c2ccccc12)c1cccs1.
What is the InChIKey of 3-(1H-indol-3-yl)-2-thiophen-2-ylpropanoic acid?
The InChIKey is CYLNRCYDXDEBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c17-15(18)12(14-6-3-7-19-14)8-10-9-16-13-5-2-1-4-11(10)13/h1-7,9,12,16H,8H2,(H,17,18).
What are the key properties of 3-(1H-indol-3-yl)-2-thiophen-2-ylpropanoic acid?
3-(1H-indol-3-yl)-2-thiophen-2-ylpropanoic acid has a molecular weight of 271.34 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 82021366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).