1-(aziridin-1-yl)propan-2-yl diethyl phosphate

C9H20NO4P — CID 2784441

IUPAC1-(aziridin-1-yl)propan-2-yl diethyl phosphate
SMILESCCOP(=O)(OCC)OC(C)CN1CC1
InChIInChI=1S/C9H20NO4P/c1-4-12-15(11,13-5-2)14-9(3)8-10-6-7-10/h9H,4-8H2,1-3H3
InChIKeyOMWRVKXVRDBRKE-UHFFFAOYSA-N
MW237.24 g/mol
LogP1.89
Rot. Bonds8

About 1-(aziridin-1-yl)propan-2-yl diethyl phosphate

1-(aziridin-1-yl)propan-2-yl diethyl phosphate (PubChem CID 2784441) has the molecular formula C9H20NO4P and a molecular weight of 237.24 g/mol. Its IUPAC name is 1-(aziridin-1-yl)propan-2-yl diethyl phosphate.

Molecular Properties

Compound Name1-(aziridin-1-yl)propan-2-yl diethyl phosphate
PubChem CID2784441
Molecular FormulaC9H20NO4P
Molecular Weight237.24 g/mol
Exact Mass237.11
IUPAC Name1-(aziridin-1-yl)propan-2-yl diethyl phosphate
SMILESCCOP(=O)(OCC)OC(C)CN1CC1
InChIInChI=1S/C9H20NO4P/c1-4-12-15(11,13-5-2)14-9(3)8-10-6-7-10/h9H,4-8H2,1-3H3
InChIKeyOMWRVKXVRDBRKE-UHFFFAOYSA-N
XLogP1.89
TPSA47.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate
CID 172720622
diethyl 1-fluoropropyl phosphate
CID 174844382
10-[2,2-bis(diethoxyphosphoryl)ethyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 87791716
1-[2,2-bis(diethoxyphosphoryl)ethyl]piperazine
CID 54169151
tributan-2-yl phosphate
CID 11482502
1-(4-ethoxypiperazin-1-yl)propan-2-ol;sulfuric acid
CID 159209648
copper(1+);diethyl oct-1-yn-3-yl phosphate
CID 10426447
2-(4-aminopiperidin-1-yl)ethyl diethyl phosphate
CID 175422314
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951
triethyl phosphate;bis(trimethylsilane)
CID 175760856
methyl-pentoxy-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-sulfanylidene-λ5-phosphane
CID 11862385
sulfur trioxide;triethyl phosphate
CID 86745268

Frequently Asked Questions

What is the IUPAC name of 1-(aziridin-1-yl)propan-2-yl diethyl phosphate?
The IUPAC name of 1-(aziridin-1-yl)propan-2-yl diethyl phosphate (CID 2784441) is 1-(aziridin-1-yl)propan-2-yl diethyl phosphate.
What is the SMILES notation for 1-(aziridin-1-yl)propan-2-yl diethyl phosphate?
The canonical SMILES for 1-(aziridin-1-yl)propan-2-yl diethyl phosphate is CCOP(=O)(OCC)OC(C)CN1CC1.
What is the InChIKey of 1-(aziridin-1-yl)propan-2-yl diethyl phosphate?
The InChIKey is OMWRVKXVRDBRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO4P/c1-4-12-15(11,13-5-2)14-9(3)8-10-6-7-10/h9H,4-8H2,1-3H3.
What are the key properties of 1-(aziridin-1-yl)propan-2-yl diethyl phosphate?
1-(aziridin-1-yl)propan-2-yl diethyl phosphate has a molecular weight of 237.24 g/mol, XLogP of 1.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aziridin-1-yl)propan-2-yl diethyl phosphate is sourced from PubChem (CID 2784441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).