Free Chemical Databases
-
[Synonyms]
AIDS018680
AIDS-018680
NSC21230
NSC69093
Diethyl 3,3'-(methylimino)dipropionate
beta, beta'-Methyliminodipropionic acid, diethyl ester
6315-60-2
[Structure]
[ Properties Computed from Structure]
Molecular Weight 231.28874 [g/mol] Molecular Formula C11H21NO4 XLogP 0.6 H-Bond Donor 0 H-Bond Acceptor 5 Rotatable Bond Count 10 Exact Mass 231.147058 MonoIsotopic Mass 231.147058 Topological Polar Surface Area 55.8 Heavy Atom Count 16 Formal Charge 0 Complexity 196 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: ethyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]propanoate
Canonical SMILES: CCOC(=O)CCN(C)CCC(=O)OCC
InChI: InChI=1/C11H21NO4/c1-4-15-10(13)6-8-12(3)9-7-11(14)16-5-2/h4-9H2,1-3H3
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