ethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride

C7H17ClN2O2 — CID 154726143

IUPACethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride
SMILESCCOC(=O)CN(C)CCN.Cl
InChIInChI=1S/C7H16N2O2.ClH/c1-3-11-7(10)6-9(2)5-4-8;/h3-6,8H2,1-2H3;1H
InChIKeyDCTAYXIEQBEAPK-UHFFFAOYSA-N
MW196.68 g/mol
LogP-0.14
Rot. Bonds5

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

ethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride (PubChem CID 154726143) has the molecular formula C7H17ClN2O2 and a molecular weight of 196.68 g/mol. Its IUPAC name is ethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride
PubChem CID154726143
Molecular FormulaC7H17ClN2O2
Molecular Weight196.68 g/mol
Exact Mass196.10
IUPAC Nameethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride
SMILESCCOC(=O)CN(C)CCN.Cl
InChIInChI=1S/C7H16N2O2.ClH/c1-3-11-7(10)6-9(2)5-4-8;/h3-6,8H2,1-2H3;1H
InChIKeyDCTAYXIEQBEAPK-UHFFFAOYSA-N
XLogP-0.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-chloroethyl(methyl)amino]acetate
CID 24846020
ethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate
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CID 115518030
ethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate
CID 63381111
ethyl 2-(dimethylamino)acetate;hydrochloride
CID 86629091
ethyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]acetate
CID 62012976
ethyl 2-[methyl-[4-(methylamino)-4-oxobutyl]amino]acetate
CID 63892113
ethane;ethyl 2-(dimethylamino)acetate
CID 170607054
ethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate
CID 115257573
ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate
CID 115257571
ethyl 2-[but-2-ynyl(methyl)amino]acetate
CID 62309803
ethyl 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetate
CID 60676948

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride?
The IUPAC name of ethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride (CID 154726143) is ethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride is CCOC(=O)CN(C)CCN.Cl.
What is the InChIKey of ethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride?
The InChIKey is DCTAYXIEQBEAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2.ClH/c1-3-11-7(10)6-9(2)5-4-8;/h3-6,8H2,1-2H3;1H.
What are the key properties of ethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride?
ethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride has a molecular weight of 196.68 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride is sourced from PubChem (CID 154726143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).