ethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate

C9H19N3O3 — CID 63381111

IUPACethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)CC(=O)NCCN
InChIInChI=1S/C9H19N3O3/c1-3-15-9(14)7-12(2)6-8(13)11-5-4-10/h3-7,10H2,1-2H3,(H,11,13)
InChIKeySBAPFPGLFLZKAZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP-1.44
Rot. Bonds7

About ethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate

ethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate (PubChem CID 63381111) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is ethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate
PubChem CID63381111
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Nameethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)CC(=O)NCCN
InChIInChI=1S/C9H19N3O3/c1-3-15-9(14)7-12(2)6-8(13)11-5-4-10/h3-7,10H2,1-2H3,(H,11,13)
InChIKeySBAPFPGLFLZKAZ-UHFFFAOYSA-N
XLogP-1.44
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 54946952
ethyl 4-[[2-[(3-ethoxy-3-oxopropyl)-methylamino]acetyl]amino]butanoate
CID 62012622
ethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride
CID 154726143
ethyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate
CID 62013172
ethyl 4-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]butanoate
CID 60683876
ethyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate
CID 62012374
N-(2-aminoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62332906
ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate
CID 60965392
ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]acetate
CID 55207313
N-(2-aminoethyl)-2-[methyl(pentan-3-yl)amino]acetamide
CID 61209052
ethyl 2-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]acetate
CID 55207794
ethyl 2-[methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetate
CID 62013338

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate?
The IUPAC name of ethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate (CID 63381111) is ethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate is CCOC(=O)CN(C)CC(=O)NCCN.
What is the InChIKey of ethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate?
The InChIKey is SBAPFPGLFLZKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-3-15-9(14)7-12(2)6-8(13)11-5-4-10/h3-7,10H2,1-2H3,(H,11,13).
What are the key properties of ethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate?
ethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate has a molecular weight of 217.27 g/mol, XLogP of -1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate is sourced from PubChem (CID 63381111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).