ChemDB: Chemical Search
Download
Chemical ID: 6668920
Chemical ID:
6668920
Name [?]:
ethyl 3-(2-ethoxycarbonylethyl-ethyl-amino)propanoate
SMILES [?]:
CCN(CCC(=O)OCC)CCC(=O)OCC
InChi [?]:
InChI=1/C12H23NO4/c1-4-13(9-7-11(14)16-5-2)10-8-12(15)17-6-3/h4-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,17,2,9,16,5,12,4,11,6,13,3,7,14,8,15/E:(2,3)(5,6)(7,8)(9,10)(11,12)(14,15)(16,17)/rA:17nCCNCCCOOCCCCCOOCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s3;s11;s12;d13;s13;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H23NO4 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.39329 |
Area: | 492.802 |
Solvation: | -2.92677 |
Coulombic: | -40.7994 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 245.315 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.05 |
LogP (Chemaxon): | 0.69 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|