Chemical ID: 5783574

C(CCCC(=O)NCCCC(=O)O)CCCC(=O)NCCCC(=O)O
Chemical ID:
5783574
Name [?]:
4-[8-(3-carboxypropylcarbamoyl)octanoylamino]butanoic acid
SMILES [?]:
C(CCCC(=O)NCCCC(=O)O)CCCC(=O)NCCCC(=O)O
InChi [?]:
InChI=1/C17H30N2O6/c20-14(18-12-6-10-16(22)23)8-4-2-1-3-5-9-15(21)19-13-7-11-17(24)25/h1-13H2,(H,18,20)(H,19,21)(H,22,23)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,14,3,15,9,21,4,16,10,22,8,20,5,17,11,23,7,19,6,18,12,13,24,25/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23,24,25)/gE:(1,2)(3,4)/rA:25nCCCCCONCCCCOOCCCCONCCCCOO/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;d11;s11;s1;s14;s15;s16;d17;s17;s19;s20;s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H30N2O6
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.37
Area:683.919
Solvation:-5.72795
Coulombic:-90.819
Bond Count [?]
All:24
Single:20
Double:4
Rotors:18
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:358.43
H-Bond Donors:4
H-Bond Acceptors:8
XLogP:1.09
LogP (Chemaxon):0.32

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Descriptor Annotations

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