methyl 2-[2-aminoethyl(methyl)amino]acetate;dihydrochloride

C6H16Cl2N2O2 — CID 71757259

IUPACmethyl 2-[2-aminoethyl(methyl)amino]acetate;dihydrochloride
SMILESCOC(=O)CN(C)CCN.Cl.Cl
InChIInChI=1S/C6H14N2O2.2ClH/c1-8(4-3-7)5-6(9)10-2;;/h3-5,7H2,1-2H3;2*1H
InChIKeyQBFKIWZPCOBWTJ-UHFFFAOYSA-N
MW219.11 g/mol
LogP-0.11
Rot. Bonds4

About methyl 2-[2-aminoethyl(methyl)amino]acetate;dihydrochloride

methyl 2-[2-aminoethyl(methyl)amino]acetate;dihydrochloride (PubChem CID 71757259) has the molecular formula C6H16Cl2N2O2 and a molecular weight of 219.11 g/mol. Its IUPAC name is methyl 2-[2-aminoethyl(methyl)amino]acetate;dihydrochloride.

Molecular Properties

Compound Namemethyl 2-[2-aminoethyl(methyl)amino]acetate;dihydrochloride
PubChem CID71757259
Molecular FormulaC6H16Cl2N2O2
Molecular Weight219.11 g/mol
Exact Mass218.06
IUPAC Namemethyl 2-[2-aminoethyl(methyl)amino]acetate;dihydrochloride
SMILESCOC(=O)CN(C)CCN.Cl.Cl
InChIInChI=1S/C6H14N2O2.2ClH/c1-8(4-3-7)5-6(9)10-2;;/h3-5,7H2,1-2H3;2*1H
InChIKeyQBFKIWZPCOBWTJ-UHFFFAOYSA-N
XLogP-0.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-aminoethyl(methyl)amino]acetate;dihydrochloride?
The IUPAC name of methyl 2-[2-aminoethyl(methyl)amino]acetate;dihydrochloride (CID 71757259) is methyl 2-[2-aminoethyl(methyl)amino]acetate;dihydrochloride.
What is the SMILES notation for methyl 2-[2-aminoethyl(methyl)amino]acetate;dihydrochloride?
The canonical SMILES for methyl 2-[2-aminoethyl(methyl)amino]acetate;dihydrochloride is COC(=O)CN(C)CCN.Cl.Cl.
What is the InChIKey of methyl 2-[2-aminoethyl(methyl)amino]acetate;dihydrochloride?
The InChIKey is QBFKIWZPCOBWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.2ClH/c1-8(4-3-7)5-6(9)10-2;;/h3-5,7H2,1-2H3;2*1H.
What are the key properties of methyl 2-[2-aminoethyl(methyl)amino]acetate;dihydrochloride?
methyl 2-[2-aminoethyl(methyl)amino]acetate;dihydrochloride has a molecular weight of 219.11 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-aminoethyl(methyl)amino]acetate;dihydrochloride is sourced from PubChem (CID 71757259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).