methyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate

C11H23NO2 — CID 63965064

IUPACmethyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate
SMILESCCC(C)(C)N(C)CCCC(=O)OC
InChIInChI=1S/C11H23NO2/c1-6-11(2,3)12(4)9-7-8-10(13)14-5/h6-9H2,1-5H3
InChIKeyUTHKXIMKWZRNMP-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.06
Rot. Bonds6

About methyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate

methyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate (PubChem CID 63965064) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate
PubChem CID63965064
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate
SMILESCCC(C)(C)N(C)CCCC(=O)OC
InChIInChI=1S/C11H23NO2/c1-6-11(2,3)12(4)9-7-8-10(13)14-5/h6-9H2,1-5H3
InChIKeyUTHKXIMKWZRNMP-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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azane;methyl 5,5-dimethylheptanoate
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methyl 4-[ethylcarbamoyl(methyl)amino]butanoate
CID 60970924
dimethyl butanedioate;2-methylbutan-2-ol
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methyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate
CID 157418406
methyl 4-[(2-tert-butylsulfanylacetyl)-methylamino]butanoate
CID 54943106
methyl 4-(2-methylbutan-2-ylamino)butanoate
CID 43377779
methyl 4-(dihexylamino)butanoate
CID 142540666
N-(2-methoxyethyl)-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63982714

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate?
The IUPAC name of methyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate (CID 63965064) is methyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate is CCC(C)(C)N(C)CCCC(=O)OC.
What is the InChIKey of methyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate?
The InChIKey is UTHKXIMKWZRNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-11(2,3)12(4)9-7-8-10(13)14-5/h6-9H2,1-5H3.
What are the key properties of methyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate?
methyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate has a molecular weight of 201.31 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate is sourced from PubChem (CID 63965064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).