2-diethoxyphosphoryl-1-[(1R)-1-phenylpropyl]aziridine

C15H24NO3P — CID 54584207

IUPAC2-diethoxyphosphoryl-1-[(1R)-1-phenylpropyl]aziridine
SMILESCCOP(=O)(OCC)C1CN1[C@H](CC)c1ccccc1
InChIInChI=1S/C15H24NO3P/c1-4-14(13-10-8-7-9-11-13)16-12-15(16)20(17,18-5-2)19-6-3/h7-11,14-15H,4-6,12H2,1-3H3/t14-,15?,16?/m1/s1
InChIKeySJKZEXKYQGUZOT-QQFBHYJXSA-N
MW297.34 g/mol
LogP4.05
Rot. Bonds8

About 2-diethoxyphosphoryl-1-[(1R)-1-phenylpropyl]aziridine

2-diethoxyphosphoryl-1-[(1R)-1-phenylpropyl]aziridine (PubChem CID 54584207) has the molecular formula C15H24NO3P and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-1-[(1R)-1-phenylpropyl]aziridine.

Molecular Properties

Compound Name2-diethoxyphosphoryl-1-[(1R)-1-phenylpropyl]aziridine
PubChem CID54584207
Molecular FormulaC15H24NO3P
Molecular Weight297.34 g/mol
Exact Mass297.15
IUPAC Name2-diethoxyphosphoryl-1-[(1R)-1-phenylpropyl]aziridine
SMILESCCOP(=O)(OCC)C1CN1[C@H](CC)c1ccccc1
InChIInChI=1S/C15H24NO3P/c1-4-14(13-10-8-7-9-11-13)16-12-15(16)20(17,18-5-2)19-6-3/h7-11,14-15H,4-6,12H2,1-3H3/t14-,15?,16?/m1/s1
InChIKeySJKZEXKYQGUZOT-QQFBHYJXSA-N
XLogP4.05
TPSA38.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-1-[(1R)-1-phenylpropyl]aziridine?
The IUPAC name of 2-diethoxyphosphoryl-1-[(1R)-1-phenylpropyl]aziridine (CID 54584207) is 2-diethoxyphosphoryl-1-[(1R)-1-phenylpropyl]aziridine.
What is the SMILES notation for 2-diethoxyphosphoryl-1-[(1R)-1-phenylpropyl]aziridine?
The canonical SMILES for 2-diethoxyphosphoryl-1-[(1R)-1-phenylpropyl]aziridine is CCOP(=O)(OCC)C1CN1[C@H](CC)c1ccccc1.
What is the InChIKey of 2-diethoxyphosphoryl-1-[(1R)-1-phenylpropyl]aziridine?
The InChIKey is SJKZEXKYQGUZOT-QQFBHYJXSA-N. The full InChI is InChI=1S/C15H24NO3P/c1-4-14(13-10-8-7-9-11-13)16-12-15(16)20(17,18-5-2)19-6-3/h7-11,14-15H,4-6,12H2,1-3H3/t14-,15?,16?/m1/s1.
What are the key properties of 2-diethoxyphosphoryl-1-[(1R)-1-phenylpropyl]aziridine?
2-diethoxyphosphoryl-1-[(1R)-1-phenylpropyl]aziridine has a molecular weight of 297.34 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-1-[(1R)-1-phenylpropyl]aziridine is sourced from PubChem (CID 54584207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).