2-[(2-thiophen-2-ylacetyl)amino]pentanoic acid

C11H15NO3S — CID 13476288

IUPAC2-[(2-thiophen-2-ylacetyl)amino]pentanoic acid
SMILESCCCC(NC(=O)Cc1cccs1)C(=O)O
InChIInChI=1S/C11H15NO3S/c1-2-4-9(11(14)15)12-10(13)7-8-5-3-6-16-8/h3,5-6,9H,2,4,7H2,1H3,(H,12,13)(H,14,15)
InChIKeyWONBIDFVYOGQFY-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.66
Rot. Bonds6

About 2-[(2-thiophen-2-ylacetyl)amino]pentanoic acid

2-[(2-thiophen-2-ylacetyl)amino]pentanoic acid (PubChem CID 13476288) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-[(2-thiophen-2-ylacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(2-thiophen-2-ylacetyl)amino]pentanoic acid
PubChem CID13476288
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2-[(2-thiophen-2-ylacetyl)amino]pentanoic acid
SMILESCCCC(NC(=O)Cc1cccs1)C(=O)O
InChIInChI=1S/C11H15NO3S/c1-2-4-9(11(14)15)12-10(13)7-8-5-3-6-16-8/h3,5-6,9H,2,4,7H2,1H3,(H,12,13)(H,14,15)
InChIKeyWONBIDFVYOGQFY-UHFFFAOYSA-N
XLogP1.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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 2-[(2-thiophen-2-ylacetyl)amino]pentanoic acid?
The IUPAC name of 2-[(2-thiophen-2-ylacetyl)amino]pentanoic acid (CID 13476288) is 2-[(2-thiophen-2-ylacetyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(2-thiophen-2-ylacetyl)amino]pentanoic acid?
The canonical SMILES for 2-[(2-thiophen-2-ylacetyl)amino]pentanoic acid is CCCC(NC(=O)Cc1cccs1)C(=O)O.
What is the InChIKey of 2-[(2-thiophen-2-ylacetyl)amino]pentanoic acid?
The InChIKey is WONBIDFVYOGQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-2-4-9(11(14)15)12-10(13)7-8-5-3-6-16-8/h3,5-6,9H,2,4,7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(2-thiophen-2-ylacetyl)amino]pentanoic acid?
2-[(2-thiophen-2-ylacetyl)amino]pentanoic acid has a molecular weight of 241.31 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-thiophen-2-ylacetyl)amino]pentanoic acid is sourced from PubChem (CID 13476288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).