ethyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-oxopentanoate

C11H21NO5 — CID 82322171

IUPACethyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-oxopentanoate
SMILESCCOC(=O)CC(NCCOCCO)C(C)=O
InChIInChI=1S/C11H21NO5/c1-3-17-11(15)8-10(9(2)14)12-4-6-16-7-5-13/h10,12-13H,3-8H2,1-2H3
InChIKeyYNGZLNNKYWZIRE-UHFFFAOYSA-N
MW247.29 g/mol
LogP-0.50
Rot. Bonds10

About ethyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-oxopentanoate

ethyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-oxopentanoate (PubChem CID 82322171) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-oxopentanoate
PubChem CID82322171
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Nameethyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-oxopentanoate
SMILESCCOC(=O)CC(NCCOCCO)C(C)=O
InChIInChI=1S/C11H21NO5/c1-3-17-11(15)8-10(9(2)14)12-4-6-16-7-5-13/h10,12-13H,3-8H2,1-2H3
InChIKeyYNGZLNNKYWZIRE-UHFFFAOYSA-N
XLogP-0.50
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-oxo-3-(pentylamino)pentanoate
CID 82322145
ethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate
CID 106305458
ethyl 3-(2-hydroxyethoxy)propanoate
CID 22394031
2-[3-(2-hydroxyethoxy)propylamino]butanamide
CID 106309792
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3-(2-methylpropylamino)-4-oxopentanamide
CID 174287270
ethyl 4-oxo-3-(4-pyrrolidin-1-ylbutylamino)pentanoate
CID 82322180
ethyl 3-(2-morpholin-4-ylethylamino)-4-oxopentanoate
CID 82322156
ethyl 3-[2-(4-fluorophenyl)ethylamino]-4-oxopentanoate
CID 82322187
2-[2-(2-hydroxyethoxy)ethylamino]hexanoic acid
CID 103248959
methyl 2-[2-(2-hydroxyethoxy)ethylamino]-4-oxo-4-(propan-2-ylamino)butanoate
CID 143247200
ethyl 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91696590
ethyl 2-(2-ethoxyethylamino)butanoate
CID 64668942

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-oxopentanoate?
The IUPAC name of ethyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-oxopentanoate (CID 82322171) is ethyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-oxopentanoate.
What is the SMILES notation for ethyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-oxopentanoate?
The canonical SMILES for ethyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-oxopentanoate is CCOC(=O)CC(NCCOCCO)C(C)=O.
What is the InChIKey of ethyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-oxopentanoate?
The InChIKey is YNGZLNNKYWZIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-3-17-11(15)8-10(9(2)14)12-4-6-16-7-5-13/h10,12-13H,3-8H2,1-2H3.
What are the key properties of ethyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-oxopentanoate?
ethyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-oxopentanoate has a molecular weight of 247.29 g/mol, XLogP of -0.50, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-oxopentanoate is sourced from PubChem (CID 82322171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).