ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate

C11H23NO3 — CID 64706802

IUPACethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)OCC)NC
InChIInChI=1S/C11H23NO3/c1-6-14-9(3)8-11(4,12-5)10(13)15-7-2/h9,12H,6-8H2,1-5H3
InChIKeyQOEMGKIWMDQXEA-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.34
Rot. Bonds7

About ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate

ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate (PubChem CID 64706802) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Nameethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate
PubChem CID64706802
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)OCC)NC
InChIInChI=1S/C11H23NO3/c1-6-14-9(3)8-11(4,12-5)10(13)15-7-2/h9,12H,6-8H2,1-5H3
InChIKeyQOEMGKIWMDQXEA-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)pentanoate
CID 106204345
ethyl 2-methyl-2-(methylamino)-4-(4,4,4-trifluorobutoxy)pentanoate
CID 82792603
ethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate
CID 64721136
ethyl 2-methyl-2-(methylamino)-4-[propan-2-yl(propyl)amino]pentanoate
CID 64725654
ethyl 3-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)propanoate
CID 103489778
ethyl 2-methyl-2-(methylamino)-4-(2-methylpropylsulfanyl)pentanoate
CID 64712158
4-ethoxy-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64707210
ethyl 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoate
CID 64707611
ethyl 4-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
CID 107660538
ethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate
CID 64706858
ethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate
CID 64719572
ethyl 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
CID 64855069

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate?
The IUPAC name of ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate (CID 64706802) is ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate?
The canonical SMILES for ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate is CCOC(=O)C(C)(CC(C)OCC)NC.
What is the InChIKey of ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate?
The InChIKey is QOEMGKIWMDQXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-6-14-9(3)8-11(4,12-5)10(13)15-7-2/h9,12H,6-8H2,1-5H3.
What are the key properties of ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate?
ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate has a molecular weight of 217.31 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 64706802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).