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

C12H25N2O4P — CID 59000557

IUPACethyl 2-[[methyl-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate
SMILESCCOC(=O)C(C)NP(C)(=O)OC1CCN(C)CC1
InChIInChI=1S/C12H25N2O4P/c1-5-17-12(15)10(2)13-19(4,16)18-11-6-8-14(3)9-7-11/h10-11H,5-9H2,1-4H3,(H,13,16)
InChIKeyYEMRCONHWRDURX-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.46
Rot. Bonds6

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

ethyl 2-[[methyl-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate (PubChem CID 59000557) has the molecular formula C12H25N2O4P and a molecular weight of 292.32 g/mol. Its IUPAC name is ethyl 2-[[methyl-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[methyl-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate
PubChem CID59000557
Molecular FormulaC12H25N2O4P
Molecular Weight292.32 g/mol
Exact Mass292.16
IUPAC Nameethyl 2-[[methyl-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate
SMILESCCOC(=O)C(C)NP(C)(=O)OC1CCN(C)CC1
InChIInChI=1S/C12H25N2O4P/c1-5-17-12(15)10(2)13-19(4,16)18-11-6-8-14(3)9-7-11/h10-11H,5-9H2,1-4H3,(H,13,16)
InChIKeyYEMRCONHWRDURX-UHFFFAOYSA-N
XLogP1.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
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-[[methyl-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate?
The IUPAC name of ethyl 2-[[methyl-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate (CID 59000557) is ethyl 2-[[methyl-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[methyl-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate?
The canonical SMILES for ethyl 2-[[methyl-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate is CCOC(=O)C(C)NP(C)(=O)OC1CCN(C)CC1.
What is the InChIKey of ethyl 2-[[methyl-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate?
The InChIKey is YEMRCONHWRDURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N2O4P/c1-5-17-12(15)10(2)13-19(4,16)18-11-6-8-14(3)9-7-11/h10-11H,5-9H2,1-4H3,(H,13,16).
What are the key properties of ethyl 2-[[methyl-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate?
ethyl 2-[[methyl-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate has a molecular weight of 292.32 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[methyl-(1-methylpiperidin-4-yl)oxyphosphoryl]amino]propanoate is sourced from PubChem (CID 59000557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).