ethyl 2-[2-diethoxyphosphorylethyl(2-hydroxyethyl)amino]acetate

C12H26NO6P — CID 90013734

IUPACethyl 2-[2-diethoxyphosphorylethyl(2-hydroxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCO)CCP(=O)(OCC)OCC
InChIInChI=1S/C12H26NO6P/c1-4-17-12(15)11-13(7-9-14)8-10-20(16,18-5-2)19-6-3/h14H,4-11H2,1-3H3
InChIKeyYKJHXBYEEWOJGC-UHFFFAOYSA-N
MW311.31 g/mol
LogP1.11
Rot. Bonds12

About ethyl 2-[2-diethoxyphosphorylethyl(2-hydroxyethyl)amino]acetate

ethyl 2-[2-diethoxyphosphorylethyl(2-hydroxyethyl)amino]acetate (PubChem CID 90013734) has the molecular formula C12H26NO6P and a molecular weight of 311.31 g/mol. Its IUPAC name is ethyl 2-[2-diethoxyphosphorylethyl(2-hydroxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-diethoxyphosphorylethyl(2-hydroxyethyl)amino]acetate
PubChem CID90013734
Molecular FormulaC12H26NO6P
Molecular Weight311.31 g/mol
Exact Mass311.15
IUPAC Nameethyl 2-[2-diethoxyphosphorylethyl(2-hydroxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCO)CCP(=O)(OCC)OCC
InChIInChI=1S/C12H26NO6P/c1-4-17-12(15)11-13(7-9-14)8-10-20(16,18-5-2)19-6-3/h14H,4-11H2,1-3H3
InChIKeyYKJHXBYEEWOJGC-UHFFFAOYSA-N
XLogP1.11
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 2773707
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ethyl 2-[2-(2-amino-6-oxo-1H-purin-9-yl)ethyl-(2-diethoxyphosphorylethyl)amino]acetate
CID 136623210
ethyl 2-diethoxyphosphorylacetate
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ethyl 2-[5-hydroxypentyl(propyl)amino]acetate
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ethyl 2-(2-diethoxyphosphorylethylamino)acetate
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ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate
CID 102349258
ethyl 2-[ethyl(5-hydroxypentyl)amino]acetate
CID 55210801
ethyl 2-[2-[diethoxyphosphorylmethyl-[(1R,2R)-2-[diethoxyphosphorylmethyl-(2-ethoxy-2-oxoethyl)amino]cyclohexyl]amino]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-diethoxyphosphorylethyl(2-hydroxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[2-diethoxyphosphorylethyl(2-hydroxyethyl)amino]acetate (CID 90013734) is ethyl 2-[2-diethoxyphosphorylethyl(2-hydroxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[2-diethoxyphosphorylethyl(2-hydroxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[2-diethoxyphosphorylethyl(2-hydroxyethyl)amino]acetate is CCOC(=O)CN(CCO)CCP(=O)(OCC)OCC.
What is the InChIKey of ethyl 2-[2-diethoxyphosphorylethyl(2-hydroxyethyl)amino]acetate?
The InChIKey is YKJHXBYEEWOJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26NO6P/c1-4-17-12(15)11-13(7-9-14)8-10-20(16,18-5-2)19-6-3/h14H,4-11H2,1-3H3.
What are the key properties of ethyl 2-[2-diethoxyphosphorylethyl(2-hydroxyethyl)amino]acetate?
ethyl 2-[2-diethoxyphosphorylethyl(2-hydroxyethyl)amino]acetate has a molecular weight of 311.31 g/mol, XLogP of 1.11, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-diethoxyphosphorylethyl(2-hydroxyethyl)amino]acetate is sourced from PubChem (CID 90013734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).