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

C8H9NO4S — CID 16773669

IUPAC3-hydroxy-2-(thiophene-3-carbonylamino)propanoic acid
SMILESO=C(NC(CO)C(=O)O)c1ccsc1
InChIInChI=1S/C8H9NO4S/c10-3-6(8(12)13)9-7(11)5-1-2-14-4-5/h1-2,4,6,10H,3H2,(H,9,11)(H,12,13)
InChIKeyYLRJLZHKRPUZDA-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.08
Rot. Bonds4

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

3-hydroxy-2-(thiophene-3-carbonylamino)propanoic acid (PubChem CID 16773669) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 3-hydroxy-2-(thiophene-3-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(thiophene-3-carbonylamino)propanoic acid
PubChem CID16773669
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name3-hydroxy-2-(thiophene-3-carbonylamino)propanoic acid
SMILESO=C(NC(CO)C(=O)O)c1ccsc1
InChIInChI=1S/C8H9NO4S/c10-3-6(8(12)13)9-7(11)5-1-2-14-4-5/h1-2,4,6,10H,3H2,(H,9,11)(H,12,13)
InChIKeyYLRJLZHKRPUZDA-UHFFFAOYSA-N
XLogP-0.08
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(thiophene-3-carbonylamino)propanoic acid?
The IUPAC name of 3-hydroxy-2-(thiophene-3-carbonylamino)propanoic acid (CID 16773669) is 3-hydroxy-2-(thiophene-3-carbonylamino)propanoic acid.
What is the SMILES notation for 3-hydroxy-2-(thiophene-3-carbonylamino)propanoic acid?
The canonical SMILES for 3-hydroxy-2-(thiophene-3-carbonylamino)propanoic acid is O=C(NC(CO)C(=O)O)c1ccsc1.
What is the InChIKey of 3-hydroxy-2-(thiophene-3-carbonylamino)propanoic acid?
The InChIKey is YLRJLZHKRPUZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c10-3-6(8(12)13)9-7(11)5-1-2-14-4-5/h1-2,4,6,10H,3H2,(H,9,11)(H,12,13).
What are the key properties of 3-hydroxy-2-(thiophene-3-carbonylamino)propanoic acid?
3-hydroxy-2-(thiophene-3-carbonylamino)propanoic acid has a molecular weight of 215.23 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(thiophene-3-carbonylamino)propanoic acid is sourced from PubChem (CID 16773669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).