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Chemical ID: 6737970
Chemical ID:
6737970
Name [?]:
N-cyclopentyl-2-methyl-1-[2-(1-oxa-4-azoniacyclohex-4-yl)ethyl]-5-oxo-pyrrolidine-2-carboxamide
SMILES [?]:
CC1(CCC(=O)N1CC[NH+]2CCOCC2)C(=O)NC3CCCC3
InChi [?]:
InChI=1/C17H29N3O3/c1-17(16(22)18-14-4-2-3-5-14)7-6-15(21)20(17)9-8-19-10-12-23-13-11-19/h14H,2-13H2,1H3,(H,18,22)/p+1
InChi Info:
AuxInfo=1/1/N:1,21,22,20,23,4,3,9,8,11,15,12,14,19,5,16,2,18,10,7,6,17,13/E:(2,3)(4,5)(10,11)(12,13)/rA:23cCCCCCONCCN+CCOCCCONCCCCC/rB:s1;s2;s3;s4;d5;s2s5;s7;s8;s9;s10;s11;s12;s13;s10s14;s2;d16;s16;s18;s19;s20;s21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H30N3O3+ |
All Atoms: | 53 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -21.8715 |
Area: | 530.443 |
Solvation: | -35.1326 |
Coulombic: | -12.0974 |
Bond Count [?]
All: | 25 |
Single: | 23 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 324.439 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | -0.07 |
LogP (Chemaxon): | -0.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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