Chemical ID: 6668920

CCN(CCC(=O)OCC)CCC(=O)OCC
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

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Experimental Annotations

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Descriptor Annotations

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