ethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate

C11H23NO2 — CID 115128719

IUPACethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate
SMILESCCOC(=O)C(C)(C)N(C)CC(C)C
InChIInChI=1S/C11H23NO2/c1-7-14-10(13)11(4,5)12(6)8-9(2)3/h9H,7-8H2,1-6H3
InChIKeyZFXUANCLUJVTFZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.92
Rot. Bonds5

About ethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate

ethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate (PubChem CID 115128719) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate
PubChem CID115128719
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate
SMILESCCOC(=O)C(C)(C)N(C)CC(C)C
InChIInChI=1S/C11H23NO2/c1-7-14-10(13)11(4,5)12(6)8-9(2)3/h9H,7-8H2,1-6H3
InChIKeyZFXUANCLUJVTFZ-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methyl-2-[methyl(4-methylpentyl)amino]propanoate
CID 115128915
ethyl 2-[2-cyclohexylethyl(methyl)amino]-2-methylpropanoate
CID 115128935
ethyl 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoate
CID 64726233
ethyl 2-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanoate
CID 115128855
ethyl 2-methyl-2-[methyl(2-methylprop-2-enoyl)amino]propanoate
CID 174385530
ethyl 2-[methyl(2-methylpropyl)amino]-2-oxoacetate
CID 60895382
diethyl 2-methyl-2-[2-(3-methylbutoxy)ethyl]propanedioate
CID 103972541
ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate
CID 131230217
ethyl 3-(dimethylamino)-2,2-dimethylpropanoate
CID 129270991
ethyl 2-hydroxy-2,5-dimethyl-3-(2-methylpropyl)hexanoate
CID 114868881
ethyl 2-methyl-2-(2-methylpropylsulfanyl)propanoate
CID 116853881
ethyl 2-(ethylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]pentanoate
CID 64710888

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate?
The IUPAC name of ethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate (CID 115128719) is ethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate is CCOC(=O)C(C)(C)N(C)CC(C)C.
What is the InChIKey of ethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate?
The InChIKey is ZFXUANCLUJVTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-7-14-10(13)11(4,5)12(6)8-9(2)3/h9H,7-8H2,1-6H3.
What are the key properties of ethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate?
ethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate has a molecular weight of 201.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate is sourced from PubChem (CID 115128719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).