methyl 3-[2-(dimethylamino)propylamino]-2-methylbutanoate

C11H24N2O2 — CID 79397662

IUPACmethyl 3-[2-(dimethylamino)propylamino]-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)NCC(C)N(C)C
InChIInChI=1S/C11H24N2O2/c1-8(13(4)5)7-12-10(3)9(2)11(14)15-6/h8-10,12H,7H2,1-6H3
InChIKeySMZFBMAMGYYHTI-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.72
Rot. Bonds6

About methyl 3-[2-(dimethylamino)propylamino]-2-methylbutanoate

methyl 3-[2-(dimethylamino)propylamino]-2-methylbutanoate (PubChem CID 79397662) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is methyl 3-[2-(dimethylamino)propylamino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[2-(dimethylamino)propylamino]-2-methylbutanoate
PubChem CID79397662
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Namemethyl 3-[2-(dimethylamino)propylamino]-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)NCC(C)N(C)C
InChIInChI=1S/C11H24N2O2/c1-8(13(4)5)7-12-10(3)9(2)11(14)15-6/h8-10,12H,7H2,1-6H3
InChIKeySMZFBMAMGYYHTI-UHFFFAOYSA-N
XLogP0.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoate
CID 79397828
methyl 2-methyl-3-(octylamino)butanoate
CID 115567614
methyl (2S)-2-(2-ethylbutylamino)propanoate
CID 43723607
methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylbutanoate
CID 103108458
methyl 3-[(4-hydroxyphenyl)methylamino]-2-methylbutanoate
CID 114331709
methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-methylbutanoate
CID 106276355
methyl 3-[2-[cyclopentyl(methyl)amino]ethylamino]-2-methylbutanoate
CID 79397246
methyl 3-[[3-[1-(dimethylamino)ethyl-methoxyphosphoryl]-2-methylpropanoyl]amino]-2-methylbutanoate
CID 21336369
methyl (2R)-2-(dimethylamino)propanoate
CID 30030726
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-methylbutanoate
CID 114188531
methyl 3-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-methylbutanoate
CID 79397549
methyl 3-[(1-hydroxycyclopentyl)methylamino]-2-methylbutanoate
CID 79398493

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(dimethylamino)propylamino]-2-methylbutanoate?
The IUPAC name of methyl 3-[2-(dimethylamino)propylamino]-2-methylbutanoate (CID 79397662) is methyl 3-[2-(dimethylamino)propylamino]-2-methylbutanoate.
What is the SMILES notation for methyl 3-[2-(dimethylamino)propylamino]-2-methylbutanoate?
The canonical SMILES for methyl 3-[2-(dimethylamino)propylamino]-2-methylbutanoate is COC(=O)C(C)C(C)NCC(C)N(C)C.
What is the InChIKey of methyl 3-[2-(dimethylamino)propylamino]-2-methylbutanoate?
The InChIKey is SMZFBMAMGYYHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-8(13(4)5)7-12-10(3)9(2)11(14)15-6/h8-10,12H,7H2,1-6H3.
What are the key properties of methyl 3-[2-(dimethylamino)propylamino]-2-methylbutanoate?
methyl 3-[2-(dimethylamino)propylamino]-2-methylbutanoate has a molecular weight of 216.32 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(dimethylamino)propylamino]-2-methylbutanoate is sourced from PubChem (CID 79397662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).