Uredepa

C₇H₁₄N₃O₃P — CID 9332

About Uredepa

Uredepa (PubChem CID 9332) has the molecular formula C₇H₁₄N₃O₃P and a molecular weight of 219.18 g/mol. Its IUPAC name is ethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate.

Molecular Properties

• Compound Name: Uredepa
• PubChem CID: 9332
• Molecular Formula: C₇H₁₄N₃O₃P
• Molecular Weight: 219.18 g/mol
• Exact Mass: 219.08
• IUPAC Name: ethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate
• SMILES: CCOC(=O)NP(=O)(N1CC1)N1CC1
• InChI: InChI=1S/C7H14N3O3P/c1-2-13-7(11)8-14(12,9-3-4-9)10-5-6-10/h2-6H2,1H3,(H,8,11,12)
• InChIKey: SPDZFJLQFWSJGA-UHFFFAOYSA-N
• XLogP: 0.47
• TPSA: 61.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	219.18
LogP ≤ 5	0.47
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 Uredepa?

The IUPAC name of Uredepa (CID 9332) is ethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate.

What is the SMILES notation for Uredepa?

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

What is the InChIKey of Uredepa?

The InChIKey is SPDZFJLQFWSJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N3O3P/c1-2-13-7(11)8-14(12,9-3-4-9)10-5-6-10/h2-6H2,1H3,(H,8,11,12).

What are the key properties of Uredepa?

Uredepa has a molecular weight of 219.18 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Uredepa is sourced from PubChem (CID 9332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 9332 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3638 — approved-drug record (CC BY-SA 4.0)

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