(2,5-dioxopyrrolidin-1-yl) 3-[3-[[1-(2,2-dimethyl(113C)propyl)(115N)azolidine-2-carbonyl]amino](1,2,3-13C3)propanoyl(15N)amino](1,2,3-13C3)propanoate

C20H32N4O6 — CID 129148317

About (2,5-dioxopyrrolidin-1-yl) 3-[3-[[1-(2,2-dimethyl(113C)propyl)(115N)azolidine-2-carbonyl]amino](1,2,3-13C3)propanoyl(15N)amino](1,2,3-13C3)propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[3-[[1-(2,2-dimethyl(113C)propyl)(115N)azolidine-2-carbonyl]amino](1,2,3-13C3)propanoyl(15N)amino](1,2,3-13C3)propanoate (PubChem CID 129148317) has the molecular formula C20H32N4O6 and a molecular weight of 433.43 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[3-[[1-(2,2-dimethyl(113C)propyl)(115N)azolidine-2-carbonyl]amino](1,2,3-13C3)propanoyl(15N)amino](1,2,3-13C3)propanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[3-[[1-(2,2-dimethyl(113C)propyl)(115N)azolidine-2-carbonyl]amino](1,2,3-13C3)propanoyl(15N)amino](1,2,3-13C3)propanoate
• PubChem CID: 129148317
• Molecular Formula: C20H32N4O6
• Molecular Weight: 433.43 g/mol
• Exact Mass: 433.25
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[3-[[1-(2,2-dimethyl(113C)propyl)(115N)azolidine-2-carbonyl]amino](1,2,3-13C3)propanoyl(15N)amino](1,2,3-13C3)propanoate
• SMILES: CC(C)(C)[13CH2][15N]1CCCC1C(=O)N[13CH2][13CH2][13C](=O)[15NH][13CH2][13CH2][13C](=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C20H32N4O6/c1-20(2,3)13-23-12-4-5-14(23)19(29)22-10-8-15(25)21-11-9-18(28)30-24-16(26)6-7-17(24)27/h14H,4-13H2,1-3H3,(H,21,25)(H,22,29)/i8+1,9+1,10+1,11+1,13+1,15+1,18+1,21+1,23+1
• InChIKey: KGKKMAKEELBNMT-GDEBAYNHSA-N
• XLogP: 0.12
• TPSA: 125.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.43
LogP ≤ 5	0.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[3-[[1-(2,2-dimethyl(113C)propyl)(115N)azolidine-2-carbonyl]amino](1,2,3-13C3)propanoyl(15N)amino](1,2,3-13C3)propanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[3-[[1-(2,2-dimethyl(113C)propyl)(115N)azolidine-2-carbonyl]amino](1,2,3-13C3)propanoyl(15N)amino](1,2,3-13C3)propanoate (CID 129148317) is (2,5-dioxopyrrolidin-1-yl) 3-[3-[[1-(2,2-dimethyl(113C)propyl)(115N)azolidine-2-carbonyl]amino](1,2,3-13C3)propanoyl(15N)amino](1,2,3-13C3)propanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[3-[[1-(2,2-dimethyl(113C)propyl)(115N)azolidine-2-carbonyl]amino](1,2,3-13C3)propanoyl(15N)amino](1,2,3-13C3)propanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[3-[[1-(2,2-dimethyl(113C)propyl)(115N)azolidine-2-carbonyl]amino](1,2,3-13C3)propanoyl(15N)amino](1,2,3-13C3)propanoate is CC(C)(C)[13CH2][15N]1CCCC1C(=O)N[13CH2][13CH2][13C](=O)[15NH][13CH2][13CH2][13C](=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[3-[[1-(2,2-dimethyl(113C)propyl)(115N)azolidine-2-carbonyl]amino](1,2,3-13C3)propanoyl(15N)amino](1,2,3-13C3)propanoate?

The InChIKey is KGKKMAKEELBNMT-GDEBAYNHSA-N. The full InChI is InChI=1S/C20H32N4O6/c1-20(2,3)13-23-12-4-5-14(23)19(29)22-10-8-15(25)21-11-9-18(28)30-24-16(26)6-7-17(24)27/h14H,4-13H2,1-3H3,(H,21,25)(H,22,29)/i8+1,9+1,10+1,11+1,13+1,15+1,18+1,21+1,23+1.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[3-[[1-(2,2-dimethyl(113C)propyl)(115N)azolidine-2-carbonyl]amino](1,2,3-13C3)propanoyl(15N)amino](1,2,3-13C3)propanoate?

(2,5-dioxopyrrolidin-1-yl) 3-[3-[[1-(2,2-dimethyl(113C)propyl)(115N)azolidine-2-carbonyl]amino](1,2,3-13C3)propanoyl(15N)amino](1,2,3-13C3)propanoate has a molecular weight of 433.43 g/mol, XLogP of 0.12, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-[3-[[1-(2,2-dimethyl(113C)propyl)(115N)azolidine-2-carbonyl]amino](1,2,3-13C3)propanoyl(15N)amino](1,2,3-13C3)propanoate is sourced from PubChem (CID 129148317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).