2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-methylbutanoic acid

C14H24N2O4 — CID 43638681

IUPAC2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-methylbutanoic acid
SMILESCCC(CC)N1C(=O)CC(NC(C(=O)O)C(C)C)C1=O
InChIInChI=1S/C14H24N2O4/c1-5-9(6-2)16-11(17)7-10(13(16)18)15-12(8(3)4)14(19)20/h8-10,12,15H,5-7H2,1-4H3,(H,19,20)
InChIKeyLRQDIIIFBSYXNW-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.00
Rot. Bonds7

About 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-methylbutanoic acid

2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-methylbutanoic acid (PubChem CID 43638681) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-methylbutanoic acid
PubChem CID43638681
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-methylbutanoic acid
SMILESCCC(CC)N1C(=O)CC(NC(C(=O)O)C(C)C)C1=O
InChIInChI=1S/C14H24N2O4/c1-5-9(6-2)16-11(17)7-10(13(16)18)15-12(8(3)4)14(19)20/h8-10,12,15H,5-7H2,1-4H3,(H,19,20)
InChIKeyLRQDIIIFBSYXNW-UHFFFAOYSA-N
XLogP1.00
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-methylbutanoic acid (CID 43638681) is 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-methylbutanoic acid is CCC(CC)N1C(=O)CC(NC(C(=O)O)C(C)C)C1=O.
What is the InChIKey of 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-methylbutanoic acid?
The InChIKey is LRQDIIIFBSYXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-5-9(6-2)16-11(17)7-10(13(16)18)15-12(8(3)4)14(19)20/h8-10,12,15H,5-7H2,1-4H3,(H,19,20).
What are the key properties of 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-methylbutanoic acid?
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-methylbutanoic acid has a molecular weight of 284.36 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 43638681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).