Chemical ID: 5835588

C1CCC(C(C1)C(=O)N2CCN(CC2)C(=O)C3CCCCC3C(=O)O)C(=O)O
Chemical ID:
5835588
Name [?]:
2-[4-(2-carboxycyclohexyl)carbonylpiperazin-1-yl]carbonylcyclohexane-1-carboxylic acid
SMILES [?]:
C1CCC(C(C1)C(=O)N2CCN(CC2)C(=O)C3CCCCC3C(=O)O)C(=O)O
InChi [?]:
InChI=1/C20H30N2O6/c23-17(13-5-1-3-7-15(13)19(25)26)21-9-11-22(12-10-21)18(24)14-6-2-4-8-16(14)20(27)28/h13-16H,1-12H2,(H,25,26)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,19,2,20,6,18,3,21,10,14,11,13,5,17,4,22,7,15,26,23,9,12,8,16,27,28,24,25/E:(1,2)(3,4)(5,6)(7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26,27,28)/gE:(1,2)/rA:28cCCCCCCCONCCNCCCOCCCCCCCOOCOO/rB:s1;s2;s3;s4;s1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;s18;s19;s20;s17s21;s22;d23;s23;s4;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H30N2O6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:4
ZAP Information [?]
Total:8.12678
Area:561.95
Solvation:-5.92199
Coulombic:-81.1712
Bond Count [?]
All:30
Single:26
Double:4
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:394.462
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:0.79
LogP (Chemaxon):0.98

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Descriptor Annotations

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