methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate

C10H19NO4 — CID 60966424

IUPACmethyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate
SMILESCCOC(=O)CN(C)CC(C)C(=O)OC
InChIInChI=1S/C10H19NO4/c1-5-15-9(12)7-11(3)6-8(2)10(13)14-4/h8H,5-7H2,1-4H3
InChIKeyFQJADAQICGILSL-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.29
Rot. Bonds6

About methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate

methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate (PubChem CID 60966424) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate
PubChem CID60966424
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate
SMILESCCOC(=O)CN(C)CC(C)C(=O)OC
InChIInChI=1S/C10H19NO4/c1-5-15-9(12)7-11(3)6-8(2)10(13)14-4/h8H,5-7H2,1-4H3
InChIKeyFQJADAQICGILSL-UHFFFAOYSA-N
XLogP0.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate
CID 62027008
methyl 2-methyl-3-[methyl(octyl)amino]propanoate
CID 62011879
methyl 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60964383
methyl 3-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60964543
methyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate
CID 83160882
ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]acetate
CID 55207313
ethyl 4-[methyl(2-methylbutyl)amino]-3-oxobutanoate
CID 63898110
methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate
CID 104552508
ethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate
CID 62010807
methyl 3-[but-2-enyl(methyl)amino]-2-methylpropanoate
CID 76886619
methyl 2-methyl-3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoate
CID 60966133
methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62013632

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate (CID 60966424) is methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate is CCOC(=O)CN(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate?
The InChIKey is FQJADAQICGILSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5-15-9(12)7-11(3)6-8(2)10(13)14-4/h8H,5-7H2,1-4H3.
What are the key properties of methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate?
methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate has a molecular weight of 217.26 g/mol, XLogP of 0.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate is sourced from PubChem (CID 60966424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).