methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate

C11H23NO2 — CID 79624643

IUPACmethyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate
SMILESCCCCN(C)CC(C)(C)C(=O)OC
InChIInChI=1S/C11H23NO2/c1-6-7-8-12(4)9-11(2,3)10(13)14-5/h6-9H2,1-5H3
InChIKeyRETHLLFBNIMPNI-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.92
Rot. Bonds6

About methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate

methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate (PubChem CID 79624643) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate
PubChem CID79624643
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate
SMILESCCCCN(C)CC(C)(C)C(=O)OC
InChIInChI=1S/C11H23NO2/c1-6-7-8-12(4)9-11(2,3)10(13)14-5/h6-9H2,1-5H3
InChIKeyRETHLLFBNIMPNI-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[butyl(methyl)amino]-3,3-dimethylbutan-2-one
CID 66453152
methyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate
CID 79621448
methyl 3-(dimethylamino)-2,2-dimethylpropanoate
CID 79623514
methyl 3-[2-cyclobutylethyl(methyl)amino]-2,2-dimethylpropanoate
CID 115233730
methyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate
CID 63907793
methyl 3-[(2-amino-2-oxoethyl)-methylamino]-2,2-dimethylpropanoate
CID 79624848
methyl 3-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoate
CID 79619789
methyl 3-(diethylamino)-2,2-dimethylpropanoate
CID 79623821
dimethyl 2-butyl-2,4,4-trimethylpentanedioate
CID 18710794
methyl 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoate
CID 104645223
azanium methyl 2,2-dimethyloctadecanoate
CID 22238515
methyl 3-butoxy-2,2-dimethylpropanoate
CID 79623220

Frequently Asked Questions

What is the IUPAC name of methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate (CID 79624643) is methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate is CCCCN(C)CC(C)(C)C(=O)OC.
What is the InChIKey of methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate?
The InChIKey is RETHLLFBNIMPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-7-8-12(4)9-11(2,3)10(13)14-5/h6-9H2,1-5H3.
What are the key properties of methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate?
methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate has a molecular weight of 201.31 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 79624643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).