ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate

C11H15NO4 — CID 79800630

IUPACethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(CO)nc1
InChIInChI=1S/C11H15NO4/c1-3-15-11(14)8(2)16-10-5-4-9(7-13)12-6-10/h4-6,8,13H,3,7H2,1-2H3
InChIKeyQESRZBQFNRZZTK-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.90
Rot. Bonds5

About ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate

ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate (PubChem CID 79800630) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate
PubChem CID79800630
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Nameethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(CO)nc1
InChIInChI=1S/C11H15NO4/c1-3-15-11(14)8(2)16-10-5-4-9(7-13)12-6-10/h4-6,8,13H,3,7H2,1-2H3
InChIKeyQESRZBQFNRZZTK-UHFFFAOYSA-N
XLogP0.90
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]butanoate
CID 79800006
5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid
CID 79794956
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-methylpropanamide
CID 79799827
ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate
CID 79783450
N-carbamoyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide
CID 79799924
2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-(methylcarbamoyl)propanamide
CID 79799543
N-cyclopropyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide
CID 79800191
1-(azepan-1-yl)-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propan-1-one
CID 79800104
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]propanamide
CID 79796082
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-prop-2-enylpropanamide
CID 79794355
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate?
The IUPAC name of ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate (CID 79800630) is ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate.
What is the SMILES notation for ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate?
The canonical SMILES for ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate is CCOC(=O)C(C)Oc1ccc(CO)nc1.
What is the InChIKey of ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate?
The InChIKey is QESRZBQFNRZZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-3-15-11(14)8(2)16-10-5-4-9(7-13)12-6-10/h4-6,8,13H,3,7H2,1-2H3.
What are the key properties of ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate?
ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate has a molecular weight of 225.24 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate is sourced from PubChem (CID 79800630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).