Chemical ID: 7340614

CC(C)CC(C(=O)NCC1CCC(CC1)C(=O)O)N
Chemical ID:
7340614
Name [?]:
4-[(2-amino-4-methyl-pentanoyl)aminomethyl]cyclohexane-1-carboxylic acid
SMILES [?]:
CC(C)CC(C(=O)NCC1CCC(CC1)C(=O)O)N
InChi [?]:
InChI=1/C14H26N2O3/c1-9(2)7-12(15)13(17)16-8-10-3-5-11(6-4-10)14(18)19/h9-12H,3-8,15H2,1-2H3,(H,16,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,11,15,12,14,4,9,2,10,13,5,6,16,19,8,7,17,18/E:(1,2)(3,4)(5,6)(18,19)/rA:19cCCCCCCONCCCCCCCCOON/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s10s14;s13;d16;s16;s5;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H26N2O3
All Atoms:45
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:9.24175
Area:495.81
Solvation:-3.15351
Coulombic:-60.264
Bond Count [?]
All:19
Single:17
Double:2
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:270.368
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:1.43
LogP (Chemaxon):-2.79

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