Carbubarb

C₁₁H₁₇N₃O₅ — CID 13743

About Carbubarb

Carbubarb (PubChem CID 13743) has the molecular formula C₁₁H₁₇N₃O₅ and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethyl carbamate.

Molecular Properties

• Compound Name: Carbubarb
• PubChem CID: 13743
• Molecular Formula: C₁₁H₁₇N₃O₅
• Molecular Weight: 271.27 g/mol
• Exact Mass: 271.12
• IUPAC Name: 2-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethyl carbamate
• SMILES: CCCCC1(CCOC(N)=O)C(=O)NC(=O)NC1=O
• InChI: InChI=1S/C11H17N3O5/c1-2-3-4-11(5-6-19-9(12)17)7(15)13-10(18)14-8(11)16/h2-6H2,1H3,(H2,12,17)(H2,13,14,15,16,18)
• InChIKey: ZWGPHQZXAPWKOV-UHFFFAOYSA-N
• XLogP: 0.01
• TPSA: 127.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	271.27
LogP ≤ 5	0.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Carbubarb?

The IUPAC name of Carbubarb (CID 13743) is 2-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethyl carbamate.

What is the SMILES notation for Carbubarb?

The canonical SMILES for Carbubarb is CCCCC1(CCOC(N)=O)C(=O)NC(=O)NC1=O.

What is the InChIKey of Carbubarb?

The InChIKey is ZWGPHQZXAPWKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-2-3-4-11(5-6-19-9(12)17)7(15)13-10(18)14-8(11)16/h2-6H2,1H3,(H2,12,17)(H2,13,14,15,16,18).

What are the key properties of Carbubarb?

Carbubarb has a molecular weight of 271.27 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Carbubarb is sourced from PubChem (CID 13743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 13743 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3702 — approved-drug record (CC BY-SA 4.0)

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