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Chemical ID: 7340614
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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