ethyl 2-(2-aminoethylamino)acetate

C6H14N2O2 — CID 7020794

IUPACethyl 2-(2-aminoethylamino)acetate
SMILESCCOC(=O)CNCCN
InChIInChI=1S/C6H14N2O2/c1-2-10-6(9)5-8-4-3-7/h8H,2-5,7H2,1H3
InChIKeyAKIVBPMKPCQWFD-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.90
Rot. Bonds5

About ethyl 2-(2-aminoethylamino)acetate

ethyl 2-(2-aminoethylamino)acetate (PubChem CID 7020794) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is ethyl 2-(2-aminoethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-aminoethylamino)acetate
PubChem CID7020794
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Nameethyl 2-(2-aminoethylamino)acetate
SMILESCCOC(=O)CNCCN
InChIInChI=1S/C6H14N2O2/c1-2-10-6(9)5-8-4-3-7/h8H,2-5,7H2,1H3
InChIKeyAKIVBPMKPCQWFD-UHFFFAOYSA-N
XLogP-0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.90
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-aminoethylamino)acetate?
The IUPAC name of ethyl 2-(2-aminoethylamino)acetate (CID 7020794) is ethyl 2-(2-aminoethylamino)acetate.
What is the SMILES notation for ethyl 2-(2-aminoethylamino)acetate?
The canonical SMILES for ethyl 2-(2-aminoethylamino)acetate is CCOC(=O)CNCCN.
What is the InChIKey of ethyl 2-(2-aminoethylamino)acetate?
The InChIKey is AKIVBPMKPCQWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-2-10-6(9)5-8-4-3-7/h8H,2-5,7H2,1H3.
What are the key properties of ethyl 2-(2-aminoethylamino)acetate?
ethyl 2-(2-aminoethylamino)acetate has a molecular weight of 146.19 g/mol, XLogP of -0.90, 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 is sourced from PubChem (CID 7020794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).