Chemical ID: 7343589

C1CC(NC1)C(=O)NCC2CCC(CC2)C(=O)O
Chemical ID:
7343589
Name [?]:
4-(pyrrolidin-2-ylcarbonylaminomethyl)cyclohexane-1-carboxylic acid
SMILES [?]:
C1CC(NC1)C(=O)NCC2CCC(CC2)C(=O)O
InChi [?]:
InChI=1/C13H22N2O3/c16-12(11-2-1-7-14-11)15-8-9-3-5-10(6-4-9)13(17)18/h9-11,14H,1-8H2,(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,11,15,12,14,5,9,10,13,3,6,16,4,8,7,17,18/E:(3,4)(5,6)(17,18)/rA:18cCCCNCCONCCCCCCCCOO/rB:s1;s2;s3;s1s4;s3;d6;s6;s8;s9;s10;s11;s12;s13;s10s14;s13;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H22N2O3
All Atoms:40
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.83606
Area:456.487
Solvation:-3.57612
Coulombic:-55.4989
Bond Count [?]
All:19
Single:17
Double:2
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:254.325
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:0.47
LogP (Chemaxon):-4.22

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