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

C12H17NO4 — CID 79169271

IUPACethyl 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(C)nc1CO
InChIInChI=1S/C12H17NO4/c1-4-16-12(15)9(3)17-11-6-5-8(2)13-10(11)7-14/h5-6,9,14H,4,7H2,1-3H3
InChIKeyGZARQLZGWYKTOQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.21
Rot. Bonds5

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

ethyl 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoate (PubChem CID 79169271) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoate
PubChem CID79169271
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Nameethyl 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(C)nc1CO
InChIInChI=1S/C12H17NO4/c1-4-16-12(15)9(3)17-11-6-5-8(2)13-10(11)7-14/h5-6,9,14H,4,7H2,1-3H3
InChIKeyGZARQLZGWYKTOQ-UHFFFAOYSA-N
XLogP1.21
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoic acid
CID 79159018
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-propylpropanamide
CID 79157055
methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate
CID 79151146
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid
CID 83040752
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one
CID 79169274
1-(azepan-1-yl)-2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propan-1-one
CID 79163826
ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]butanoate
CID 79168999
2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-pentan-2-ylpropanamide
CID 79163530
2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79158480
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methyl-N-propan-2-ylacetamide
CID 79157642
2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide
CID 79169410
2-[[6-methyl-2-(methylaminomethyl)-3-pyridinyl]oxy]-N-propylpropanamide
CID 79150870

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoate?
The IUPAC name of ethyl 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoate (CID 79169271) is ethyl 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoate.
What is the SMILES notation for ethyl 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoate?
The canonical SMILES for ethyl 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoate is CCOC(=O)C(C)Oc1ccc(C)nc1CO.
What is the InChIKey of ethyl 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoate?
The InChIKey is GZARQLZGWYKTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-4-16-12(15)9(3)17-11-6-5-8(2)13-10(11)7-14/h5-6,9,14H,4,7H2,1-3H3.
What are the key properties of ethyl 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoate?
ethyl 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoate has a molecular weight of 239.27 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoate is sourced from PubChem (CID 79169271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).