Chemical ID: 5099935

CCOC(=O)CCCNCCCC(=O)OCC
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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