methyl 3-[2-(2-ethoxy-2-oxoethoxy)ethylamino]-2,2-dimethylpropanoate

C12H23NO5 — CID 114283912

IUPACmethyl 3-[2-(2-ethoxy-2-oxoethoxy)ethylamino]-2,2-dimethylpropanoate
SMILESCCOC(=O)COCCNCC(C)(C)C(=O)OC
InChIInChI=1S/C12H23NO5/c1-5-18-10(14)8-17-7-6-13-9-12(2,3)11(15)16-4/h13H,5-9H2,1-4H3
InChIKeyFYWNNQBHYPDMTK-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.35
Rot. Bonds9

About methyl 3-[2-(2-ethoxy-2-oxoethoxy)ethylamino]-2,2-dimethylpropanoate

methyl 3-[2-(2-ethoxy-2-oxoethoxy)ethylamino]-2,2-dimethylpropanoate (PubChem CID 114283912) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 3-[2-(2-ethoxy-2-oxoethoxy)ethylamino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-ethoxy-2-oxoethoxy)ethylamino]-2,2-dimethylpropanoate
PubChem CID114283912
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Namemethyl 3-[2-(2-ethoxy-2-oxoethoxy)ethylamino]-2,2-dimethylpropanoate
SMILESCCOC(=O)COCCNCC(C)(C)C(=O)OC
InChIInChI=1S/C12H23NO5/c1-5-18-10(14)8-17-7-6-13-9-12(2,3)11(15)16-4/h13H,5-9H2,1-4H3
InChIKeyFYWNNQBHYPDMTK-UHFFFAOYSA-N
XLogP0.35
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.35
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-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate
CID 103260351
ethyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]ethoxy]acetate
CID 103265328
ethyl 2-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethoxy]acetate
CID 114150258
ethyl 2-[2-(ethoxyamino)ethoxy]acetate
CID 103254485
methyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate
CID 79629121
ethyl 2-[2-(but-2-ynylamino)ethoxy]acetate
CID 103265382
ethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate
CID 103237731
ethyl 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethoxy]acetate
CID 103263560
methyl 2,2-dimethyl-3-(3-propoxypropylamino)propanoate
CID 82944131
ethyl 2-[2-(4-methylsulfanylbutylamino)ethoxy]acetate
CID 103264028
ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate
CID 103245215
ethyl 2-[2-(2-prop-2-ynylsulfanylethylamino)ethoxy]acetate
CID 106429938

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-ethoxy-2-oxoethoxy)ethylamino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[2-(2-ethoxy-2-oxoethoxy)ethylamino]-2,2-dimethylpropanoate (CID 114283912) is methyl 3-[2-(2-ethoxy-2-oxoethoxy)ethylamino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[2-(2-ethoxy-2-oxoethoxy)ethylamino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[2-(2-ethoxy-2-oxoethoxy)ethylamino]-2,2-dimethylpropanoate is CCOC(=O)COCCNCC(C)(C)C(=O)OC.
What is the InChIKey of methyl 3-[2-(2-ethoxy-2-oxoethoxy)ethylamino]-2,2-dimethylpropanoate?
The InChIKey is FYWNNQBHYPDMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-5-18-10(14)8-17-7-6-13-9-12(2,3)11(15)16-4/h13H,5-9H2,1-4H3.
What are the key properties of methyl 3-[2-(2-ethoxy-2-oxoethoxy)ethylamino]-2,2-dimethylpropanoate?
methyl 3-[2-(2-ethoxy-2-oxoethoxy)ethylamino]-2,2-dimethylpropanoate has a molecular weight of 261.32 g/mol, XLogP of 0.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-ethoxy-2-oxoethoxy)ethylamino]-2,2-dimethylpropanoate is sourced from PubChem (CID 114283912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).