Chemical ID: 6737970

CC1(CCC(=O)N1CC[NH+]2CCOCC2)C(=O)NC3CCCC3
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

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