2-(thiophene-3-carbonylamino)propanoic acid

C8H9NO3S — CID 16777729

IUPAC2-(thiophene-3-carbonylamino)propanoic acid
SMILESCC(NC(=O)c1ccsc1)C(=O)O
InChIInChI=1S/C8H9NO3S/c1-5(8(11)12)9-7(10)6-2-3-13-4-6/h2-5H,1H3,(H,9,10)(H,11,12)
InChIKeyYCOPMEYGYMUHNR-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.95
Rot. Bonds3

About 2-(thiophene-3-carbonylamino)propanoic acid

2-(thiophene-3-carbonylamino)propanoic acid (PubChem CID 16777729) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-(thiophene-3-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-(thiophene-3-carbonylamino)propanoic acid
PubChem CID16777729
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name2-(thiophene-3-carbonylamino)propanoic acid
SMILESCC(NC(=O)c1ccsc1)C(=O)O
InChIInChI=1S/C8H9NO3S/c1-5(8(11)12)9-7(10)6-2-3-13-4-6/h2-5H,1H3,(H,9,10)(H,11,12)
InChIKeyYCOPMEYGYMUHNR-UHFFFAOYSA-N
XLogP0.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophene-3-carbonylamino)propanoic acid?
The IUPAC name of 2-(thiophene-3-carbonylamino)propanoic acid (CID 16777729) is 2-(thiophene-3-carbonylamino)propanoic acid.
What is the SMILES notation for 2-(thiophene-3-carbonylamino)propanoic acid?
The canonical SMILES for 2-(thiophene-3-carbonylamino)propanoic acid is CC(NC(=O)c1ccsc1)C(=O)O.
What is the InChIKey of 2-(thiophene-3-carbonylamino)propanoic acid?
The InChIKey is YCOPMEYGYMUHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-5(8(11)12)9-7(10)6-2-3-13-4-6/h2-5H,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-(thiophene-3-carbonylamino)propanoic acid?
2-(thiophene-3-carbonylamino)propanoic acid has a molecular weight of 199.23 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophene-3-carbonylamino)propanoic acid is sourced from PubChem (CID 16777729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).