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Chemical ID: 5068717
Chemical ID:
5068717
Name [?]:
1-[1-(1-aminocyclopentyl)carbonylaminocyclopentyl]carbonylaminocyclopentane-1-carboxylic acid
SMILES [?]:
C1CCC(C1)(C(=O)NC2(CCCC2)C(=O)NC3(CCCC3)C(=O)O)N
InChi [?]:
InChI=1/C18H29N3O4/c19-16(7-1-2-8-16)13(22)20-17(9-3-4-10-17)14(23)21-18(15(24)25)11-5-6-12-18/h1-12,19H2,(H,20,22)(H,21,23)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,11,12,19,20,5,3,10,13,18,21,6,14,22,4,9,17,25,8,16,7,15,23,24/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(24,25)/rA:25nCCCCCCONCCCCCCONCCCCCCOON/rB:s1;s2;s3;s1s4;s4;d6;s6;s8;s9;s10;s11;s9s12;s9;d14;s14;s16;s17;s18;s19;s17s20;s17;d22;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H29N3O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.05345 |
Area: | 517.216 |
Solvation: | -3.87696 |
Coulombic: | -82.6182 |
Bond Count [?]
All: | 27 |
Single: | 24 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 351.441 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 7 |
XLogP: | 0.2 |
LogP (Chemaxon): | -3.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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