methyl 3-(dimethylamino)-2,2-dimethylpropanoate

C8H17NO2 — CID 79623514

IUPACmethyl 3-(dimethylamino)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN(C)C
InChIInChI=1S/C8H17NO2/c1-8(2,6-9(3)4)7(10)11-5/h6H2,1-5H3
InChIKeyFIFCVCALDFVVQQ-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.75
Rot. Bonds3

About methyl 3-(dimethylamino)-2,2-dimethylpropanoate

methyl 3-(dimethylamino)-2,2-dimethylpropanoate (PubChem CID 79623514) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is methyl 3-(dimethylamino)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(dimethylamino)-2,2-dimethylpropanoate
PubChem CID79623514
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namemethyl 3-(dimethylamino)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN(C)C
InChIInChI=1S/C8H17NO2/c1-8(2,6-9(3)4)7(10)11-5/h6H2,1-5H3
InChIKeyFIFCVCALDFVVQQ-UHFFFAOYSA-N
XLogP0.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(diethylamino)-2,2-dimethylpropanoate
CID 79623821
ethyl 3-(dimethylamino)-2,2-dimethylpropanoate
CID 129270991
methyl 3-[(2-amino-2-oxoethyl)-methylamino]-2,2-dimethylpropanoate
CID 79624848
methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropanoate
CID 79620913
methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate
CID 79624643
methyl 2-[(dimethylamino)methyl]-2-propylpentanoate
CID 10846364
methyl 3-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoate
CID 79619789
methyl 3-[azetidin-3-yl(methyl)amino]-2,2-dimethylpropanoate
CID 79619984
methyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate
CID 79621448
methane;methyl 2,2-dimethylbutanoate
CID 161256043
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79620923
methyl 3-[2-cyclobutylethyl(methyl)amino]-2,2-dimethylpropanoate
CID 115233730

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylamino)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(dimethylamino)-2,2-dimethylpropanoate (CID 79623514) is methyl 3-(dimethylamino)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(dimethylamino)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(dimethylamino)-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN(C)C.
What is the InChIKey of methyl 3-(dimethylamino)-2,2-dimethylpropanoate?
The InChIKey is FIFCVCALDFVVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2,6-9(3)4)7(10)11-5/h6H2,1-5H3.
What are the key properties of methyl 3-(dimethylamino)-2,2-dimethylpropanoate?
methyl 3-(dimethylamino)-2,2-dimethylpropanoate has a molecular weight of 159.23 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylamino)-2,2-dimethylpropanoate is sourced from PubChem (CID 79623514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).