3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoic acid

C16H14N2O3S — CID 3729143

IUPAC3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoic acid
SMILESO=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)c1cccs1
InChIInChI=1S/C16H14N2O3S/c19-15(14-6-3-7-22-14)18-13(16(20)21)8-10-9-17-12-5-2-1-4-11(10)12/h1-7,9,13,17H,8H2,(H,18,19)(H,20,21)
InChIKeyVNGXKEANYZLWEY-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.66
Rot. Bonds5

About 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoic acid

3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoic acid (PubChem CID 3729143) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoic acid
PubChem CID3729143
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoic acid
SMILESO=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)c1cccs1
InChIInChI=1S/C16H14N2O3S/c19-15(14-6-3-7-22-14)18-13(16(20)21)8-10-9-17-12-5-2-1-4-11(10)12/h1-7,9,13,17H,8H2,(H,18,19)(H,20,21)
InChIKeyVNGXKEANYZLWEY-UHFFFAOYSA-N
XLogP2.66
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoic acid?
The IUPAC name of 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoic acid (CID 3729143) is 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoic acid.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoic acid?
The canonical SMILES for 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoic acid is O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)c1cccs1.
What is the InChIKey of 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoic acid?
The InChIKey is VNGXKEANYZLWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c19-15(14-6-3-7-22-14)18-13(16(20)21)8-10-9-17-12-5-2-1-4-11(10)12/h1-7,9,13,17H,8H2,(H,18,19)(H,20,21).
What are the key properties of 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoic acid?
3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoic acid has a molecular weight of 314.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoic acid is sourced from PubChem (CID 3729143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).