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Chemical ID: 5099935
Chemical ID:
5099935
Name [?]:
ethyl 4-(3-ethoxycarbonylpropylamino)butanoate
SMILES [?]:
CCOC(=O)CCCNCCCC(=O)OCC
InChi [?]:
InChI=1/C12H23NO4/c1-3-16-11(14)7-5-9-13-10-6-8-12(15)17-4-2/h13H,3-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,16,7,11,6,12,8,10,4,13,9,5,14,3,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(16,17)/rA:17nCCOCOCCCNCCCCOOCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;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: | 9.18304 |
Area: | 508.365 |
Solvation: | -3.52607 |
Coulombic: | -43.8648 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 245.315 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.11 |
LogP (Chemaxon): | 0.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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