2-(2-hydroxy-6-oxopiperidin-1-yl)-3-thiophen-3-ylpropanoic acid

C12H15NO4S — CID 155198852

IUPAC2-(2-hydroxy-6-oxopiperidin-1-yl)-3-thiophen-3-ylpropanoic acid
SMILESO=C(O)C(Cc1ccsc1)N1C(=O)CCCC1O
InChIInChI=1S/C12H15NO4S/c14-10-2-1-3-11(15)13(10)9(12(16)17)6-8-4-5-18-7-8/h4-5,7,9-10,14H,1-3,6H2,(H,16,17)
InChIKeyPDHRJQVQRUJJDW-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.07
Rot. Bonds4

About 2-(2-hydroxy-6-oxopiperidin-1-yl)-3-thiophen-3-ylpropanoic acid

2-(2-hydroxy-6-oxopiperidin-1-yl)-3-thiophen-3-ylpropanoic acid (PubChem CID 155198852) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(2-hydroxy-6-oxopiperidin-1-yl)-3-thiophen-3-ylpropanoic acid.

Molecular Properties

Compound Name2-(2-hydroxy-6-oxopiperidin-1-yl)-3-thiophen-3-ylpropanoic acid
PubChem CID155198852
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name2-(2-hydroxy-6-oxopiperidin-1-yl)-3-thiophen-3-ylpropanoic acid
SMILESO=C(O)C(Cc1ccsc1)N1C(=O)CCCC1O
InChIInChI=1S/C12H15NO4S/c14-10-2-1-3-11(15)13(10)9(12(16)17)6-8-4-5-18-7-8/h4-5,7,9-10,14H,1-3,6H2,(H,16,17)
InChIKeyPDHRJQVQRUJJDW-UHFFFAOYSA-N
XLogP1.07
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-6-oxopiperidin-1-yl)-3-thiophen-3-ylpropanoic acid?
The IUPAC name of 2-(2-hydroxy-6-oxopiperidin-1-yl)-3-thiophen-3-ylpropanoic acid (CID 155198852) is 2-(2-hydroxy-6-oxopiperidin-1-yl)-3-thiophen-3-ylpropanoic acid.
What is the SMILES notation for 2-(2-hydroxy-6-oxopiperidin-1-yl)-3-thiophen-3-ylpropanoic acid?
The canonical SMILES for 2-(2-hydroxy-6-oxopiperidin-1-yl)-3-thiophen-3-ylpropanoic acid is O=C(O)C(Cc1ccsc1)N1C(=O)CCCC1O.
What is the InChIKey of 2-(2-hydroxy-6-oxopiperidin-1-yl)-3-thiophen-3-ylpropanoic acid?
The InChIKey is PDHRJQVQRUJJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c14-10-2-1-3-11(15)13(10)9(12(16)17)6-8-4-5-18-7-8/h4-5,7,9-10,14H,1-3,6H2,(H,16,17).
What are the key properties of 2-(2-hydroxy-6-oxopiperidin-1-yl)-3-thiophen-3-ylpropanoic acid?
2-(2-hydroxy-6-oxopiperidin-1-yl)-3-thiophen-3-ylpropanoic acid has a molecular weight of 269.32 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-6-oxopiperidin-1-yl)-3-thiophen-3-ylpropanoic acid is sourced from PubChem (CID 155198852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).