ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]butanoate

C15H24N2O3 — CID 79168999

IUPACethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]butanoate
SMILESCCOC(=O)C(CC)Oc1ccc(C)nc1CC(C)N
InChIInChI=1S/C15H24N2O3/c1-5-13(15(18)19-6-2)20-14-8-7-11(4)17-12(14)9-10(3)16/h7-8,10,13H,5-6,9,16H2,1-4H3
InChIKeyOOBAGRJNTNOUKW-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.00
Rot. Bonds7

About ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]butanoate

ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]butanoate (PubChem CID 79168999) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]butanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]butanoate
PubChem CID79168999
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nameethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]butanoate
SMILESCCOC(=O)C(CC)Oc1ccc(C)nc1CC(C)N
InChIInChI=1S/C15H24N2O3/c1-5-13(15(18)19-6-2)20-14-8-7-11(4)17-12(14)9-10(3)16/h7-8,10,13H,5-6,9,16H2,1-4H3
InChIKeyOOBAGRJNTNOUKW-UHFFFAOYSA-N
XLogP2.00
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]butanoate 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

ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79169666
2-[[2-(2-aminobutyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid
CID 83049348
1-(6-methyl-3-propoxy-2-pyridinyl)propan-2-amine
CID 79168995
ethyl 2-[4-(2-aminopropyl)-2-chlorophenoxy]butanoate
CID 64662197
ethyl 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoate
CID 79169271
2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylacetamide
CID 79169746
3-(1-ethoxy-1-oxopentan-2-yl)oxy-6-methylpyridine-2-carboxylic acid
CID 83040947
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]pentanoic acid
CID 83040752
ethyl 2-[2-(2-aminopropyl)-6-methylphenoxy]butanoate
CID 115958127
ethyl 2-[2-(2-aminobutyl)-4-methylphenoxy]butanoate
CID 64663407
ethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate
CID 83049068
2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]-1-morpholin-4-ylethanone
CID 79164661

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]butanoate?
The IUPAC name of ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]butanoate (CID 79168999) is ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]butanoate.
What is the SMILES notation for ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]butanoate?
The canonical SMILES for ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]butanoate is CCOC(=O)C(CC)Oc1ccc(C)nc1CC(C)N.
What is the InChIKey of ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]butanoate?
The InChIKey is OOBAGRJNTNOUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-13(15(18)19-6-2)20-14-8-7-11(4)17-12(14)9-10(3)16/h7-8,10,13H,5-6,9,16H2,1-4H3.
What are the key properties of ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]butanoate?
ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]butanoate has a molecular weight of 280.37 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]butanoate is sourced from PubChem (CID 79168999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).