ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate

C11H21NO5 — CID 103245215

IUPACethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate
SMILESCCOC(=O)COCCNC(C)C(=O)OCC
InChIInChI=1S/C11H21NO5/c1-4-16-10(13)8-15-7-6-12-9(3)11(14)17-5-2/h9,12H,4-8H2,1-3H3
InChIKeyINAAWFOBCKHJFY-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.11
Rot. Bonds9

About ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate

ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate (PubChem CID 103245215) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate
PubChem CID103245215
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Nameethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate
SMILESCCOC(=O)COCCNC(C)C(=O)OCC
InChIInChI=1S/C11H21NO5/c1-4-16-10(13)8-15-7-6-12-9(3)11(14)17-5-2/h9,12H,4-8H2,1-3H3
InChIKeyINAAWFOBCKHJFY-UHFFFAOYSA-N
XLogP0.11
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethoxy]acetate
CID 103247488
ethyl (2S)-2-(2-ethoxyethylamino)propanoate
CID 88726187
ethyl 2-[2-[1-(dimethylamino)propan-2-ylamino]ethoxy]acetate
CID 103260824
ethyl 2-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethoxy]acetate
CID 103254023
ethyl 2-[2-(hex-1-yn-3-ylamino)ethoxy]acetate
CID 106231895
ethyl 2-[2-(ethoxyamino)ethoxy]acetate
CID 103254485
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate
CID 112691084
ethyl 2-butoxyacetate
CID 14419651
ethyl 2-(2-propan-2-yloxyethoxy)acetate
CID 43119673
CID 172703702
CID 172703702
ethyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate
CID 103243974
ethyl 2-(3-methylbut-3-enylamino)propanoate
CID 114472161

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate?
The IUPAC name of ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate (CID 103245215) is ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate.
What is the SMILES notation for ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate?
The canonical SMILES for ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate is CCOC(=O)COCCNC(C)C(=O)OCC.
What is the InChIKey of ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate?
The InChIKey is INAAWFOBCKHJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-4-16-10(13)8-15-7-6-12-9(3)11(14)17-5-2/h9,12H,4-8H2,1-3H3.
What are the key properties of ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate?
ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate has a molecular weight of 247.29 g/mol, XLogP of 0.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate is sourced from PubChem (CID 103245215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).