5-oxo-5-(2-thiophen-3-ylethylamino)pentanoic acid

C11H15NO3S — CID 61475272

IUPAC5-oxo-5-(2-thiophen-3-ylethylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)NCCc1ccsc1
InChIInChI=1S/C11H15NO3S/c13-10(2-1-3-11(14)15)12-6-4-9-5-7-16-8-9/h5,7-8H,1-4,6H2,(H,12,13)(H,14,15)
InChIKeyKDTNWTZFUFIXMY-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.66
Rot. Bonds7

About 5-oxo-5-(2-thiophen-3-ylethylamino)pentanoic acid

5-oxo-5-(2-thiophen-3-ylethylamino)pentanoic acid (PubChem CID 61475272) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 5-oxo-5-(2-thiophen-3-ylethylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(2-thiophen-3-ylethylamino)pentanoic acid
PubChem CID61475272
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name5-oxo-5-(2-thiophen-3-ylethylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)NCCc1ccsc1
InChIInChI=1S/C11H15NO3S/c13-10(2-1-3-11(14)15)12-6-4-9-5-7-16-8-9/h5,7-8H,1-4,6H2,(H,12,13)(H,14,15)
InChIKeyKDTNWTZFUFIXMY-UHFFFAOYSA-N
XLogP1.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(2-thiophen-3-ylethylamino)pentanoic acid?
The IUPAC name of 5-oxo-5-(2-thiophen-3-ylethylamino)pentanoic acid (CID 61475272) is 5-oxo-5-(2-thiophen-3-ylethylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(2-thiophen-3-ylethylamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(2-thiophen-3-ylethylamino)pentanoic acid is O=C(O)CCCC(=O)NCCc1ccsc1.
What is the InChIKey of 5-oxo-5-(2-thiophen-3-ylethylamino)pentanoic acid?
The InChIKey is KDTNWTZFUFIXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c13-10(2-1-3-11(14)15)12-6-4-9-5-7-16-8-9/h5,7-8H,1-4,6H2,(H,12,13)(H,14,15).
What are the key properties of 5-oxo-5-(2-thiophen-3-ylethylamino)pentanoic acid?
5-oxo-5-(2-thiophen-3-ylethylamino)pentanoic acid has a molecular weight of 241.31 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(2-thiophen-3-ylethylamino)pentanoic acid is sourced from PubChem (CID 61475272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).