methyl 2-[3,3-dimethylbutanoyl(methyl)amino]-3,3-dimethylbutanoate

C14H27NO3 — CID 155442274

IUPACmethyl 2-[3,3-dimethylbutanoyl(methyl)amino]-3,3-dimethylbutanoate
SMILESCOC(=O)C(N(C)C(=O)CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H27NO3/c1-13(2,3)9-10(16)15(7)11(12(17)18-8)14(4,5)6/h11H,9H2,1-8H3
InChIKeyCQXVUKWZAUEYDT-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.47
Rot. Bonds3

About methyl 2-[3,3-dimethylbutanoyl(methyl)amino]-3,3-dimethylbutanoate

methyl 2-[3,3-dimethylbutanoyl(methyl)amino]-3,3-dimethylbutanoate (PubChem CID 155442274) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is methyl 2-[3,3-dimethylbutanoyl(methyl)amino]-3,3-dimethylbutanoate.

Molecular Properties

Compound Namemethyl 2-[3,3-dimethylbutanoyl(methyl)amino]-3,3-dimethylbutanoate
PubChem CID155442274
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Namemethyl 2-[3,3-dimethylbutanoyl(methyl)amino]-3,3-dimethylbutanoate
SMILESCOC(=O)C(N(C)C(=O)CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H27NO3/c1-13(2,3)9-10(16)15(7)11(12(17)18-8)14(4,5)6/h11H,9H2,1-8H3
InChIKeyCQXVUKWZAUEYDT-UHFFFAOYSA-N
XLogP2.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-[acetyl(methyl)amino]-3-methylbutanoate
CID 11019600
Ethyl 2-[acetyl(methyl)amino]-3-methylbutanoate
CID 15446107
N-acetyl t-leucine methyl ester
CID 11240891
methyl (2S)-2-[methyl(2-methylpropanoyl)amino]propanoate
CID 45119456
CID 164670167
CID 164670167
methyl (2S)-2-(3,3-dimethyl-2-oxoazetidin-1-yl)-3-methylbutanoate
CID 178411518
Glycine, N-methyl-N-(3-methyl-1-oxobutyl)-, methyl ester
CID 551711
(4R)-3,4-ditert-butyl-1,3-oxazolidine-2,5-dione
CID 14895513
Methyl 2-acetamido-3,3-dimethylbutanoate
CID 15042681
methyl (2S)-2-(2,2-dimethylpropanoylamino)-3,3-dimethylbutanoate
CID 11148919
Methyl 2-(4,4-Dimethyl-2-oxo-1-pyrrolidinyl)acetate
CID 13150912
Methyl 2-[2,2-dimethylpropanoyl(methyl)amino]acetate
CID 15339619

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3,3-dimethylbutanoyl(methyl)amino]-3,3-dimethylbutanoate?
The IUPAC name of methyl 2-[3,3-dimethylbutanoyl(methyl)amino]-3,3-dimethylbutanoate (CID 155442274) is methyl 2-[3,3-dimethylbutanoyl(methyl)amino]-3,3-dimethylbutanoate.
What is the SMILES notation for methyl 2-[3,3-dimethylbutanoyl(methyl)amino]-3,3-dimethylbutanoate?
The canonical SMILES for methyl 2-[3,3-dimethylbutanoyl(methyl)amino]-3,3-dimethylbutanoate is COC(=O)C(N(C)C(=O)CC(C)(C)C)C(C)(C)C.
What is the InChIKey of methyl 2-[3,3-dimethylbutanoyl(methyl)amino]-3,3-dimethylbutanoate?
The InChIKey is CQXVUKWZAUEYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-13(2,3)9-10(16)15(7)11(12(17)18-8)14(4,5)6/h11H,9H2,1-8H3.
What are the key properties of methyl 2-[3,3-dimethylbutanoyl(methyl)amino]-3,3-dimethylbutanoate?
methyl 2-[3,3-dimethylbutanoyl(methyl)amino]-3,3-dimethylbutanoate has a molecular weight of 257.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3,3-dimethylbutanoyl(methyl)amino]-3,3-dimethylbutanoate is sourced from PubChem (CID 155442274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).