2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-thiophen-2-ylacetamide

C13H19N3O2S — CID 115286494

IUPAC2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-thiophen-2-ylacetamide
SMILESCC(CN1CCCC1=O)NC(=O)C(N)c1cccs1
InChIInChI=1S/C13H19N3O2S/c1-9(8-16-6-2-5-11(16)17)15-13(18)12(14)10-4-3-7-19-10/h3-4,7,9,12H,2,5-6,8,14H2,1H3,(H,15,18)
InChIKeyYRNXVKOWQZEWOT-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.88
Rot. Bonds5

About 2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-thiophen-2-ylacetamide

2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 115286494) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-thiophen-2-ylacetamide
PubChem CID115286494
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-thiophen-2-ylacetamide
SMILESCC(CN1CCCC1=O)NC(=O)C(N)c1cccs1
InChIInChI=1S/C13H19N3O2S/c1-9(8-16-6-2-5-11(16)17)15-13(18)12(14)10-4-3-7-19-10/h3-4,7,9,12H,2,5-6,8,14H2,1H3,(H,15,18)
InChIKeyYRNXVKOWQZEWOT-UHFFFAOYSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-thiophen-2-ylacetamide (CID 115286494) is 2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-thiophen-2-ylacetamide is CC(CN1CCCC1=O)NC(=O)C(N)c1cccs1.
What is the InChIKey of 2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is YRNXVKOWQZEWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9(8-16-6-2-5-11(16)17)15-13(18)12(14)10-4-3-7-19-10/h3-4,7,9,12H,2,5-6,8,14H2,1H3,(H,15,18).
What are the key properties of 2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-thiophen-2-ylacetamide?
2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 281.38 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115286494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).