ethyl 2-dimethoxyphosphoryl-2-hydroxy-3-pyridin-2-ylpropanoate

C12H18NO6P — CID 19084757

IUPACethyl 2-dimethoxyphosphoryl-2-hydroxy-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)C(O)(Cc1ccccn1)P(=O)(OC)OC
InChIInChI=1S/C12H18NO6P/c1-4-19-11(14)12(15,20(16,17-2)18-3)9-10-7-5-6-8-13-10/h5-8,15H,4,9H2,1-3H3
InChIKeyXAHDVZOYIXKXGQ-UHFFFAOYSA-N
MW303.25 g/mol
LogP1.36
Rot. Bonds7

About ethyl 2-dimethoxyphosphoryl-2-hydroxy-3-pyridin-2-ylpropanoate

ethyl 2-dimethoxyphosphoryl-2-hydroxy-3-pyridin-2-ylpropanoate (PubChem CID 19084757) has the molecular formula C12H18NO6P and a molecular weight of 303.25 g/mol. Its IUPAC name is ethyl 2-dimethoxyphosphoryl-2-hydroxy-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-dimethoxyphosphoryl-2-hydroxy-3-pyridin-2-ylpropanoate
PubChem CID19084757
Molecular FormulaC12H18NO6P
Molecular Weight303.25 g/mol
Exact Mass303.09
IUPAC Nameethyl 2-dimethoxyphosphoryl-2-hydroxy-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)C(O)(Cc1ccccn1)P(=O)(OC)OC
InChIInChI=1S/C12H18NO6P/c1-4-19-11(14)12(15,20(16,17-2)18-3)9-10-7-5-6-8-13-10/h5-8,15H,4,9H2,1-3H3
InChIKeyXAHDVZOYIXKXGQ-UHFFFAOYSA-N
XLogP1.36
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 2-dimethoxyphosphoryl-2-hydroxy-3-pyridin-2-ylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 2-ethyl-2-(pyridin-2-ylmethyl)propanedioate
CID 103973006
ethyl 2-(methylamino)-2,3-dipyridin-2-ylpropanoate
CID 174613279
2-hydroxy-2-phosphono-3-pyridin-2-ylpropanoic acid
CID 19084753
ethyl 2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 55026375
ethyl 2-(methylamino)-2-pyridin-2-ylpropanoate
CID 60788232
triethyl pyridin-2-ylmethanetricarboxylate
CID 102130107
dimethyl pyridin-2-ylmethyl phosphate
CID 11622628
ethyl 2-methyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 79471489
ethyl (2R)-2-amino-3-pyridin-2-ylpropanoate
CID 57496737
2-ethoxycarbonyl-3-methyl-2-(2-pyridin-2-ylethyl)butanoic acid
CID 103974346
ethoxy(pyridin-2-ylmethyl)phosphinic acid
CID 86045425
tetrasodium;1,1-diphosphonato-2-pyridin-2-ylethanol
CID 172750109

Frequently Asked Questions

What is the IUPAC name of ethyl 2-dimethoxyphosphoryl-2-hydroxy-3-pyridin-2-ylpropanoate?
The IUPAC name of ethyl 2-dimethoxyphosphoryl-2-hydroxy-3-pyridin-2-ylpropanoate (CID 19084757) is ethyl 2-dimethoxyphosphoryl-2-hydroxy-3-pyridin-2-ylpropanoate.
What is the SMILES notation for ethyl 2-dimethoxyphosphoryl-2-hydroxy-3-pyridin-2-ylpropanoate?
The canonical SMILES for ethyl 2-dimethoxyphosphoryl-2-hydroxy-3-pyridin-2-ylpropanoate is CCOC(=O)C(O)(Cc1ccccn1)P(=O)(OC)OC.
What is the InChIKey of ethyl 2-dimethoxyphosphoryl-2-hydroxy-3-pyridin-2-ylpropanoate?
The InChIKey is XAHDVZOYIXKXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NO6P/c1-4-19-11(14)12(15,20(16,17-2)18-3)9-10-7-5-6-8-13-10/h5-8,15H,4,9H2,1-3H3.
What are the key properties of ethyl 2-dimethoxyphosphoryl-2-hydroxy-3-pyridin-2-ylpropanoate?
ethyl 2-dimethoxyphosphoryl-2-hydroxy-3-pyridin-2-ylpropanoate has a molecular weight of 303.25 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-dimethoxyphosphoryl-2-hydroxy-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 19084757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).