ethyl 2-[2-(propylamino)ethoxy]pentanoate

C12H25NO3 — CID 106939578

IUPACethyl 2-[2-(propylamino)ethoxy]pentanoate
SMILESCCCNCCOC(CCC)C(=O)OCC
InChIInChI=1S/C12H25NO3/c1-4-7-11(12(14)15-6-3)16-10-9-13-8-5-2/h11,13H,4-10H2,1-3H3
InChIKeyWJMLSXOZJSQGFW-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.73
Rot. Bonds10

About ethyl 2-[2-(propylamino)ethoxy]pentanoate

ethyl 2-[2-(propylamino)ethoxy]pentanoate (PubChem CID 106939578) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is ethyl 2-[2-(propylamino)ethoxy]pentanoate.

Molecular Properties

Compound Nameethyl 2-[2-(propylamino)ethoxy]pentanoate
PubChem CID106939578
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nameethyl 2-[2-(propylamino)ethoxy]pentanoate
SMILESCCCNCCOC(CCC)C(=O)OCC
InChIInChI=1S/C12H25NO3/c1-4-7-11(12(14)15-6-3)16-10-9-13-8-5-2/h11,13H,4-10H2,1-3H3
InChIKeyWJMLSXOZJSQGFW-UHFFFAOYSA-N
XLogP1.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-methylpentoxy)pentanoate
CID 83037799
ethyl 2-(4,4,4-trifluorobutoxy)pentanoate
CID 83038838
ethyl 2-(propylamino)pentanoate
CID 21021838
ethyl 2-(2-amino-2-ethylbutoxy)pentanoate
CID 106940048
ethyl 2-(2-methylpropanoyloxy)pentanoate
CID 137351273
2-[2-(propylamino)ethoxy]acetamide
CID 62336867
diethyl 2-butoxyhexanedioate
CID 141161524
ethyl (4R)-4-fluoro-5-(propylamino)pentanoate
CID 134297721
ethyl 2-(2-piperidin-2-ylethoxy)pentanoate
CID 106939616
(1-ethoxy-1-oxopentan-2-yl)oxy-hydroxy-oxophosphanium
CID 88801560
ethyl 2-(oxolan-3-ylmethoxy)pentanoate
CID 83038452
2-(propylamino)ethyl 2-methylprop-2-enoate
CID 18325626

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(propylamino)ethoxy]pentanoate?
The IUPAC name of ethyl 2-[2-(propylamino)ethoxy]pentanoate (CID 106939578) is ethyl 2-[2-(propylamino)ethoxy]pentanoate.
What is the SMILES notation for ethyl 2-[2-(propylamino)ethoxy]pentanoate?
The canonical SMILES for ethyl 2-[2-(propylamino)ethoxy]pentanoate is CCCNCCOC(CCC)C(=O)OCC.
What is the InChIKey of ethyl 2-[2-(propylamino)ethoxy]pentanoate?
The InChIKey is WJMLSXOZJSQGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-4-7-11(12(14)15-6-3)16-10-9-13-8-5-2/h11,13H,4-10H2,1-3H3.
What are the key properties of ethyl 2-[2-(propylamino)ethoxy]pentanoate?
ethyl 2-[2-(propylamino)ethoxy]pentanoate has a molecular weight of 231.34 g/mol, XLogP of 1.73, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(propylamino)ethoxy]pentanoate is sourced from PubChem (CID 106939578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).