2-[acetyl-(2-oxopyrrolidin-1-yl)amino]propanamide

C9H15N3O3 — CID 21311663

IUPAC2-[acetyl-(2-oxopyrrolidin-1-yl)amino]propanamide
SMILESCC(=O)N(C(C)C(N)=O)N1CCCC1=O
InChIInChI=1S/C9H15N3O3/c1-6(9(10)15)12(7(2)13)11-5-3-4-8(11)14/h6H,3-5H2,1-2H3,(H2,10,15)
InChIKeyCLNQFOPUASRTEJ-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.75
Rot. Bonds3

About 2-[acetyl-(2-oxopyrrolidin-1-yl)amino]propanamide

2-[acetyl-(2-oxopyrrolidin-1-yl)amino]propanamide (PubChem CID 21311663) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[acetyl-(2-oxopyrrolidin-1-yl)amino]propanamide.

Molecular Properties

Compound Name2-[acetyl-(2-oxopyrrolidin-1-yl)amino]propanamide
PubChem CID21311663
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-[acetyl-(2-oxopyrrolidin-1-yl)amino]propanamide
SMILESCC(=O)N(C(C)C(N)=O)N1CCCC1=O
InChIInChI=1S/C9H15N3O3/c1-6(9(10)15)12(7(2)13)11-5-3-4-8(11)14/h6H,3-5H2,1-2H3,(H2,10,15)
InChIKeyCLNQFOPUASRTEJ-UHFFFAOYSA-N
XLogP-0.75
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-(2-oxopyrrolidin-1-yl)amino]propanamide?
The IUPAC name of 2-[acetyl-(2-oxopyrrolidin-1-yl)amino]propanamide (CID 21311663) is 2-[acetyl-(2-oxopyrrolidin-1-yl)amino]propanamide.
What is the SMILES notation for 2-[acetyl-(2-oxopyrrolidin-1-yl)amino]propanamide?
The canonical SMILES for 2-[acetyl-(2-oxopyrrolidin-1-yl)amino]propanamide is CC(=O)N(C(C)C(N)=O)N1CCCC1=O.
What is the InChIKey of 2-[acetyl-(2-oxopyrrolidin-1-yl)amino]propanamide?
The InChIKey is CLNQFOPUASRTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6(9(10)15)12(7(2)13)11-5-3-4-8(11)14/h6H,3-5H2,1-2H3,(H2,10,15).
What are the key properties of 2-[acetyl-(2-oxopyrrolidin-1-yl)amino]propanamide?
2-[acetyl-(2-oxopyrrolidin-1-yl)amino]propanamide has a molecular weight of 213.24 g/mol, XLogP of -0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-(2-oxopyrrolidin-1-yl)amino]propanamide is sourced from PubChem (CID 21311663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).