ethyl N-bis(2,2,3,3-tetramethylaziridin-1-yl)phosphorylcarbamate

C15H30N3O3P — CID 59892952

IUPACethyl N-bis(2,2,3,3-tetramethylaziridin-1-yl)phosphorylcarbamate
SMILESCCOC(=O)NP(=O)(N1C(C)(C)C1(C)C)N1C(C)(C)C1(C)C
InChIInChI=1S/C15H30N3O3P/c1-10-21-11(19)16-22(20,17-12(2,3)13(17,4)5)18-14(6,7)15(18,8)9/h10H2,1-9H3,(H,16,19,20)
InChIKeyBSLSFZAZVQFZIW-UHFFFAOYSA-N
MW331.40 g/mol
LogP3.59
Rot. Bonds4

About ethyl N-bis(2,2,3,3-tetramethylaziridin-1-yl)phosphorylcarbamate

ethyl N-bis(2,2,3,3-tetramethylaziridin-1-yl)phosphorylcarbamate (PubChem CID 59892952) has the molecular formula C15H30N3O3P and a molecular weight of 331.40 g/mol. Its IUPAC name is ethyl N-bis(2,2,3,3-tetramethylaziridin-1-yl)phosphorylcarbamate.

Molecular Properties

Compound Nameethyl N-bis(2,2,3,3-tetramethylaziridin-1-yl)phosphorylcarbamate
PubChem CID59892952
Molecular FormulaC15H30N3O3P
Molecular Weight331.40 g/mol
Exact Mass331.20
IUPAC Nameethyl N-bis(2,2,3,3-tetramethylaziridin-1-yl)phosphorylcarbamate
SMILESCCOC(=O)NP(=O)(N1C(C)(C)C1(C)C)N1C(C)(C)C1(C)C
InChIInChI=1S/C15H30N3O3P/c1-10-21-11(19)16-22(20,17-12(2,3)13(17,4)5)18-14(6,7)15(18,8)9/h10H2,1-9H3,(H,16,19,20)
InChIKeyBSLSFZAZVQFZIW-UHFFFAOYSA-N
XLogP3.59
TPSA61.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 ethyl N-bis(2,2,3,3-tetramethylaziridin-1-yl)phosphorylcarbamate?
The IUPAC name of ethyl N-bis(2,2,3,3-tetramethylaziridin-1-yl)phosphorylcarbamate (CID 59892952) is ethyl N-bis(2,2,3,3-tetramethylaziridin-1-yl)phosphorylcarbamate.
What is the SMILES notation for ethyl N-bis(2,2,3,3-tetramethylaziridin-1-yl)phosphorylcarbamate?
The canonical SMILES for ethyl N-bis(2,2,3,3-tetramethylaziridin-1-yl)phosphorylcarbamate is CCOC(=O)NP(=O)(N1C(C)(C)C1(C)C)N1C(C)(C)C1(C)C.
What is the InChIKey of ethyl N-bis(2,2,3,3-tetramethylaziridin-1-yl)phosphorylcarbamate?
The InChIKey is BSLSFZAZVQFZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N3O3P/c1-10-21-11(19)16-22(20,17-12(2,3)13(17,4)5)18-14(6,7)15(18,8)9/h10H2,1-9H3,(H,16,19,20).
What are the key properties of ethyl N-bis(2,2,3,3-tetramethylaziridin-1-yl)phosphorylcarbamate?
ethyl N-bis(2,2,3,3-tetramethylaziridin-1-yl)phosphorylcarbamate has a molecular weight of 331.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-bis(2,2,3,3-tetramethylaziridin-1-yl)phosphorylcarbamate is sourced from PubChem (CID 59892952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).