ethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate

C11H24N3O4P — CID 146254100

IUPACethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate
SMILESCCOC(=O)C(C)NP(N)(=O)OC1CCN(C)CC1
InChIInChI=1S/C11H24N3O4P/c1-4-17-11(15)9(2)13-19(12,16)18-10-5-7-14(3)8-6-10/h9-10H,4-8H2,1-3H3,(H3,12,13,16)
InChIKeyZAHKZESZDZMAMD-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.71
Rot. Bonds6

About ethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate

ethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate (PubChem CID 146254100) has the molecular formula C11H24N3O4P and a molecular weight of 293.30 g/mol. Its IUPAC name is ethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate
PubChem CID146254100
Molecular FormulaC11H24N3O4P
Molecular Weight293.30 g/mol
Exact Mass293.15
IUPAC Nameethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate
SMILESCCOC(=O)C(C)NP(N)(=O)OC1CCN(C)CC1
InChIInChI=1S/C11H24N3O4P/c1-4-17-11(15)9(2)13-19(12,16)18-10-5-7-14(3)8-6-10/h9-10H,4-8H2,1-3H3,(H3,12,13,16)
InChIKeyZAHKZESZDZMAMD-UHFFFAOYSA-N
XLogP0.71
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate?
The IUPAC name of ethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate (CID 146254100) is ethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate?
The canonical SMILES for ethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate is CCOC(=O)C(C)NP(N)(=O)OC1CCN(C)CC1.
What is the InChIKey of ethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate?
The InChIKey is ZAHKZESZDZMAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N3O4P/c1-4-17-11(15)9(2)13-19(12,16)18-10-5-7-14(3)8-6-10/h9-10H,4-8H2,1-3H3,(H3,12,13,16).
What are the key properties of ethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate?
ethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate has a molecular weight of 293.30 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate is sourced from PubChem (CID 146254100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).