4-(2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanamide

C11H19N3O3 — CID 63041647

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanamide
SMILESCCCNC(CCN1C(=O)CCC1=O)C(N)=O
InChIInChI=1S/C11H19N3O3/c1-2-6-13-8(11(12)17)5-7-14-9(15)3-4-10(14)16/h8,13H,2-7H2,1H3,(H2,12,17)
InChIKeySKRFQZOUEQECMM-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.62
Rot. Bonds7

About 4-(2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanamide

4-(2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanamide (PubChem CID 63041647) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanamide
PubChem CID63041647
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanamide
SMILESCCCNC(CCN1C(=O)CCC1=O)C(N)=O
InChIInChI=1S/C11H19N3O3/c1-2-6-13-8(11(12)17)5-7-14-9(15)3-4-10(14)16/h8,13H,2-7H2,1H3,(H2,12,17)
InChIKeySKRFQZOUEQECMM-UHFFFAOYSA-N
XLogP-0.62
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanamide (CID 63041647) is 4-(2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanamide is CCCNC(CCN1C(=O)CCC1=O)C(N)=O.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanamide?
The InChIKey is SKRFQZOUEQECMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-2-6-13-8(11(12)17)5-7-14-9(15)3-4-10(14)16/h8,13H,2-7H2,1H3,(H2,12,17).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanamide?
4-(2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanamide has a molecular weight of 241.29 g/mol, XLogP of -0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanamide is sourced from PubChem (CID 63041647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).