methyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate

C12H25NO2 — CID 83160882

IUPACmethyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)CCCC(C)C
InChIInChI=1S/C12H25NO2/c1-10(2)7-6-8-13(4)9-11(3)12(14)15-5/h10-11H,6-9H2,1-5H3
InChIKeyXPKFAHNMCAOYAM-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.16
Rot. Bonds7

About methyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate

methyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate (PubChem CID 83160882) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate
PubChem CID83160882
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Namemethyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)CCCC(C)C
InChIInChI=1S/C12H25NO2/c1-10(2)7-6-8-13(4)9-11(3)12(14)15-5/h10-11H,6-9H2,1-5H3
InChIKeyXPKFAHNMCAOYAM-UHFFFAOYSA-N
XLogP2.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-3-[methyl(octyl)amino]propanoate
CID 62011879
methyl 2-methyl-3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanoate
CID 61066835
methyl (2S)-2,6-dimethylheptanoate
CID 54536148
methyl 3-[[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-methylamino]-2-methylpropanoate
CID 55183278
methyl (2S)-2,13-dimethyltetradecanoate
CID 169492700
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 62011888
methyl 3-methyl-2-[methyl(4-methylpentyl)carbamoyl]butanoate
CID 115188094
methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate
CID 60966424
methyl 3-[but-2-enyl(methyl)amino]-2-methylpropanoate
CID 76886619
methyl 3-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]-2-methylpropanoate
CID 114448878
methyl 3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-2-methylpropanoate
CID 60682012
2-formamido-5-[methyl(2-methylpropyl)amino]pentanamide
CID 175824375

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate (CID 83160882) is methyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate is COC(=O)C(C)CN(C)CCCC(C)C.
What is the InChIKey of methyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate?
The InChIKey is XPKFAHNMCAOYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)7-6-8-13(4)9-11(3)12(14)15-5/h10-11H,6-9H2,1-5H3.
What are the key properties of methyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate?
methyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate has a molecular weight of 215.34 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate is sourced from PubChem (CID 83160882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).