2-[2-aminoethyl(methyl)amino]acetic acid;dihydrochloride

C5H14Cl2N2O2 — CID 71757616

IUPAC2-[2-aminoethyl(methyl)amino]acetic acid;dihydrochloride
SMILESCN(CCN)CC(=O)O.Cl.Cl
InChIInChI=1S/C5H12N2O2.2ClH/c1-7(3-2-6)4-5(8)9;;/h2-4,6H2,1H3,(H,8,9);2*1H
InChIKeyLLEBTFBPNZHQEJ-UHFFFAOYSA-N
MW205.08 g/mol
LogP-0.19
Rot. Bonds4

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

2-[2-aminoethyl(methyl)amino]acetic acid;dihydrochloride (PubChem CID 71757616) has the molecular formula C5H14Cl2N2O2 and a molecular weight of 205.08 g/mol. Its IUPAC name is 2-[2-aminoethyl(methyl)amino]acetic acid;dihydrochloride.

Molecular Properties

Compound Name2-[2-aminoethyl(methyl)amino]acetic acid;dihydrochloride
PubChem CID71757616
Molecular FormulaC5H14Cl2N2O2
Molecular Weight205.08 g/mol
Exact Mass204.04
IUPAC Name2-[2-aminoethyl(methyl)amino]acetic acid;dihydrochloride
SMILESCN(CCN)CC(=O)O.Cl.Cl
InChIInChI=1S/C5H12N2O2.2ClH/c1-7(3-2-6)4-5(8)9;;/h2-4,6H2,1H3,(H,8,9);2*1H
InChIKeyLLEBTFBPNZHQEJ-UHFFFAOYSA-N
XLogP-0.19
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(methyl)amino]acetic acid;dihydrochloride?
The IUPAC name of 2-[2-aminoethyl(methyl)amino]acetic acid;dihydrochloride (CID 71757616) is 2-[2-aminoethyl(methyl)amino]acetic acid;dihydrochloride.
What is the SMILES notation for 2-[2-aminoethyl(methyl)amino]acetic acid;dihydrochloride?
The canonical SMILES for 2-[2-aminoethyl(methyl)amino]acetic acid;dihydrochloride is CN(CCN)CC(=O)O.Cl.Cl.
What is the InChIKey of 2-[2-aminoethyl(methyl)amino]acetic acid;dihydrochloride?
The InChIKey is LLEBTFBPNZHQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.2ClH/c1-7(3-2-6)4-5(8)9;;/h2-4,6H2,1H3,(H,8,9);2*1H.
What are the key properties of 2-[2-aminoethyl(methyl)amino]acetic acid;dihydrochloride?
2-[2-aminoethyl(methyl)amino]acetic acid;dihydrochloride has a molecular weight of 205.08 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(methyl)amino]acetic acid;dihydrochloride is sourced from PubChem (CID 71757616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).