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

C13H25NO2 — CID 115233730

IUPACmethyl 3-[2-cyclobutylethyl(methyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN(C)CCC1CCC1
InChIInChI=1S/C13H25NO2/c1-13(2,12(15)16-4)10-14(3)9-8-11-6-5-7-11/h11H,5-10H2,1-4H3
InChIKeyLXIDSYSRTXZIJX-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.31
Rot. Bonds6

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

methyl 3-[2-cyclobutylethyl(methyl)amino]-2,2-dimethylpropanoate (PubChem CID 115233730) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is methyl 3-[2-cyclobutylethyl(methyl)amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-cyclobutylethyl(methyl)amino]-2,2-dimethylpropanoate
PubChem CID115233730
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namemethyl 3-[2-cyclobutylethyl(methyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN(C)CCC1CCC1
InChIInChI=1S/C13H25NO2/c1-13(2,12(15)16-4)10-14(3)9-8-11-6-5-7-11/h11H,5-10H2,1-4H3
InChIKeyLXIDSYSRTXZIJX-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate
CID 79624643
methyl 2-amino-3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoate
CID 62861557
methyl 3-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpropanoate
CID 62861732
methyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate
CID 79621448
methyl 3-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylpropanoate
CID 102858467
methyl 3-(dimethylamino)-2,2-dimethylpropanoate
CID 79623514
1-[2-cyclohexylethyl(methyl)amino]-2-methylpropan-2-ol
CID 111113332
3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115218342
N-(2-cyclopentylethyl)-2,2,2-trifluoro-N-methylethanamine
CID 115258134
methyl 3-[(2-amino-2-oxoethyl)-methylamino]-2,2-dimethylpropanoate
CID 79624848
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79620923
methyl 3-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)propanoate
CID 63632356

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-cyclobutylethyl(methyl)amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[2-cyclobutylethyl(methyl)amino]-2,2-dimethylpropanoate (CID 115233730) is methyl 3-[2-cyclobutylethyl(methyl)amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[2-cyclobutylethyl(methyl)amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[2-cyclobutylethyl(methyl)amino]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN(C)CCC1CCC1.
What is the InChIKey of methyl 3-[2-cyclobutylethyl(methyl)amino]-2,2-dimethylpropanoate?
The InChIKey is LXIDSYSRTXZIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2,12(15)16-4)10-14(3)9-8-11-6-5-7-11/h11H,5-10H2,1-4H3.
What are the key properties of methyl 3-[2-cyclobutylethyl(methyl)amino]-2,2-dimethylpropanoate?
methyl 3-[2-cyclobutylethyl(methyl)amino]-2,2-dimethylpropanoate has a molecular weight of 227.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-cyclobutylethyl(methyl)amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 115233730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).