ethyl 2-(2-aminoethylamino)acetate;dihydrochloride

C6H16Cl2N2O2 — CID 74889816

IUPACethyl 2-(2-aminoethylamino)acetate;dihydrochloride
SMILESCCOC(=O)CNCCN.Cl.Cl
InChIInChI=1S/C6H14N2O2.2ClH/c1-2-10-6(9)5-8-4-3-7;;/h8H,2-5,7H2,1H3;2*1H
InChIKeyRHKQTVNTKKSWFY-UHFFFAOYSA-N
MW219.11 g/mol
LogP-0.06
Rot. Bonds5

About ethyl 2-(2-aminoethylamino)acetate;dihydrochloride

ethyl 2-(2-aminoethylamino)acetate;dihydrochloride (PubChem CID 74889816) has the molecular formula C6H16Cl2N2O2 and a molecular weight of 219.11 g/mol. Its IUPAC name is ethyl 2-(2-aminoethylamino)acetate;dihydrochloride.

Molecular Properties

Compound Nameethyl 2-(2-aminoethylamino)acetate;dihydrochloride
PubChem CID74889816
Molecular FormulaC6H16Cl2N2O2
Molecular Weight219.11 g/mol
Exact Mass218.06
IUPAC Nameethyl 2-(2-aminoethylamino)acetate;dihydrochloride
SMILESCCOC(=O)CNCCN.Cl.Cl
InChIInChI=1S/C6H14N2O2.2ClH/c1-2-10-6(9)5-8-4-3-7;;/h8H,2-5,7H2,1H3;2*1H
InChIKeyRHKQTVNTKKSWFY-UHFFFAOYSA-N
XLogP-0.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-aminoethylamino)acetate;dihydrochloride
CID 22364296
ethyl 2-(2-chloroethylamino)acetate
CID 55302202
ethyl 2-(5-sulfanylpentylamino)acetate
CID 142399434
ethyl 2-(2-carbamoyloxyethylamino)acetate
CID 83209785
ethyl 2-(hex-5-enylamino)acetate
CID 10867857
ethane;ethyl 2-(5-sulfanylpentylamino)acetate
CID 142399433
ethyl 2-(4,4,4-trifluorobutylamino)acetate
CID 115513560
ethyl 2-(4,4-diethoxybutylamino)acetate
CID 119084301
ethyl 2-(4-propan-2-yloxybutylamino)acetate
CID 107095428
ethyl 2-(2-diethoxyphosphorylethylamino)acetate
CID 112742494
ethyl 2-[(4-ethoxy-3-oxobutyl)amino]acetate
CID 163862980
ethyl 4-aminobutanoate;hydrochloride
CID 12649661

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-aminoethylamino)acetate;dihydrochloride?
The IUPAC name of ethyl 2-(2-aminoethylamino)acetate;dihydrochloride (CID 74889816) is ethyl 2-(2-aminoethylamino)acetate;dihydrochloride.
What is the SMILES notation for ethyl 2-(2-aminoethylamino)acetate;dihydrochloride?
The canonical SMILES for ethyl 2-(2-aminoethylamino)acetate;dihydrochloride is CCOC(=O)CNCCN.Cl.Cl.
What is the InChIKey of ethyl 2-(2-aminoethylamino)acetate;dihydrochloride?
The InChIKey is RHKQTVNTKKSWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.2ClH/c1-2-10-6(9)5-8-4-3-7;;/h8H,2-5,7H2,1H3;2*1H.
What are the key properties of ethyl 2-(2-aminoethylamino)acetate;dihydrochloride?
ethyl 2-(2-aminoethylamino)acetate;dihydrochloride has a molecular weight of 219.11 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-aminoethylamino)acetate;dihydrochloride is sourced from PubChem (CID 74889816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).