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

C11H24N3O3P — CID 143179324

IUPACethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphanyl]amino]propanoate
SMILESCCOC(=O)C(C)NP(N)OC1CCN(C)CC1
InChIInChI=1S/C11H24N3O3P/c1-4-16-11(15)9(2)13-18(12)17-10-5-7-14(3)8-6-10/h9-10,13H,4-8,12H2,1-3H3
InChIKeyIVXCRBXNVCPWAU-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.82
Rot. Bonds6

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

ethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphanyl]amino]propanoate (PubChem CID 143179324) has the molecular formula C11H24N3O3P and a molecular weight of 277.31 g/mol. Its IUPAC name is ethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphanyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphanyl]amino]propanoate
PubChem CID143179324
Molecular FormulaC11H24N3O3P
Molecular Weight277.31 g/mol
Exact Mass277.16
IUPAC Nameethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphanyl]amino]propanoate
SMILESCCOC(=O)C(C)NP(N)OC1CCN(C)CC1
InChIInChI=1S/C11H24N3O3P/c1-4-16-11(15)9(2)13-18(12)17-10-5-7-14(3)8-6-10/h9-10,13H,4-8,12H2,1-3H3
InChIKeyIVXCRBXNVCPWAU-UHFFFAOYSA-N
XLogP0.82
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)oxyphosphanyl]amino]propanoate?
The IUPAC name of ethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphanyl]amino]propanoate (CID 143179324) is ethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphanyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphanyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphanyl]amino]propanoate is CCOC(=O)C(C)NP(N)OC1CCN(C)CC1.
What is the InChIKey of ethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphanyl]amino]propanoate?
The InChIKey is IVXCRBXNVCPWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N3O3P/c1-4-16-11(15)9(2)13-18(12)17-10-5-7-14(3)8-6-10/h9-10,13H,4-8,12H2,1-3H3.
What are the key properties of ethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphanyl]amino]propanoate?
ethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphanyl]amino]propanoate has a molecular weight of 277.31 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[amino-(1-methylpiperidin-4-yl)oxyphosphanyl]amino]propanoate is sourced from PubChem (CID 143179324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).