Meturedepa

C₁₁H₂₂N₃O₃P — CID 15456

About Meturedepa

Meturedepa (PubChem CID 15456) has the molecular formula C₁₁H₂₂N₃O₃P and a molecular weight of 275.29 g/mol. Its IUPAC name is ethyl N-bis(2,2-dimethylaziridin-1-yl)phosphorylcarbamate.

Molecular Properties

• Compound Name: Meturedepa
• PubChem CID: 15456
• Molecular Formula: C₁₁H₂₂N₃O₃P
• Molecular Weight: 275.29 g/mol
• Exact Mass: 275.14
• IUPAC Name: ethyl N-bis(2,2-dimethylaziridin-1-yl)phosphorylcarbamate
• SMILES: CCOC(=O)NP(=O)(N1CC1(C)C)N1CC1(C)C
• InChI: InChI=1S/C11H22N3O3P/c1-6-17-9(15)12-18(16,13-7-10(13,2)3)14-8-11(14,4)5/h6-8H2,1-5H3,(H,12,15,16)
• InChIKey: QTFKTBRIGWJQQL-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 61.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	275.29
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Meturedepa?

The IUPAC name of Meturedepa (CID 15456) is ethyl N-bis(2,2-dimethylaziridin-1-yl)phosphorylcarbamate.

What is the SMILES notation for Meturedepa?

The canonical SMILES for Meturedepa is CCOC(=O)NP(=O)(N1CC1(C)C)N1CC1(C)C.

What is the InChIKey of Meturedepa?

The InChIKey is QTFKTBRIGWJQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N3O3P/c1-6-17-9(15)12-18(16,13-7-10(13,2)3)14-8-11(14,4)5/h6-8H2,1-5H3,(H,12,15,16).

What are the key properties of Meturedepa?

Meturedepa has a molecular weight of 275.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Meturedepa is sourced from PubChem (CID 15456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15456 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3784 — approved-drug record (CC BY-SA 4.0)

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