methyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate

C11H23NO2 — CID 43570291

IUPACmethyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(C)C(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)10(4)12(5)7-9(3)11(13)14-6/h8-10H,7H2,1-6H3
InChIKeyBBIYDGDVKZJAKZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.77
Rot. Bonds5

About methyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate

methyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate (PubChem CID 43570291) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate
PubChem CID43570291
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(C)C(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)10(4)12(5)7-9(3)11(13)14-6/h8-10H,7H2,1-6H3
InChIKeyBBIYDGDVKZJAKZ-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate
CID 104552508
methyl 2-methyl-3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
CID 62013602
methyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate
CID 62900263
methyl 3-[formyl(methyl)amino]-2-methylpropanoate
CID 64992660
methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate
CID 115772286
methyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate
CID 83160882
methyl 2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoate
CID 103722524
methyl (2S)-3-(dipropylamino)-2-methylpropanoate
CID 92938899
methyl 3-(dipropylamino)-2-methylpropanoate
CID 3015534
methyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-methylamino]-2-methylpropanoate
CID 55008307
methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate
CID 60966424
methyl 3-[but-2-enyl(methyl)amino]-2-methylpropanoate
CID 76886619

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate (CID 43570291) is methyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate is COC(=O)C(C)CN(C)C(C)C(C)C.
What is the InChIKey of methyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate?
The InChIKey is BBIYDGDVKZJAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)10(4)12(5)7-9(3)11(13)14-6/h8-10H,7H2,1-6H3.
What are the key properties of methyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate?
methyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate has a molecular weight of 201.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate is sourced from PubChem (CID 43570291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).