Chemical ID: 6515552

c1cc(cc(c1)C(=O)NCCCCC(=O)O)C(=O)NCCCCC(=O)O
Chemical ID:
6515552
Name [?]:
5-[3-(4-carboxybutylcarbamoyl)benzoyl]aminopentanoic acid
SMILES [?]:
c1cc(cc(c1)C(=O)NCCCCC(=O)O)C(=O)NCCCCC(=O)O
InChi [?]:
InChI=1/C18H24N2O6/c21-15(22)8-1-3-10-19-17(25)13-6-5-7-14(12-13)18(26)20-11-4-2-9-16(23)24/h5-7,12H,1-4,8-11H2,(H,19,25)(H,20,26)(H,21,22)(H,23,24)
InChi Info:
AuxInfo=1/1/N:12,22,11,21,1,6,2,13,23,10,20,4,5,3,14,24,7,17,9,19,15,16,25,26,8,18/E:(1,2)(3,4)(6,7)(8,9)(10,11)(13,14)(15,16)(17,18)(19,20)(21,22,23,24)(25,26)/gE:(1,2)(3,4)/rA:26nCCCCCCCONCCCCCOOCONCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s13;d14;s14;s3;d17;s17;s19;s20;s21;s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N2O6
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.8074
Area:658.106
Solvation:-5.64521
Coulombic:-94.4422
Bond Count [?]
All:26
Single:19
Double:7
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:364.393
H-Bond Donors:4
H-Bond Acceptors:8
XLogP:1.34
LogP (Chemaxon):0.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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