Chemical ID: 5536903

CC1CCC(CC1)C(=O)NC(CC(C)C)C(=O)O
Chemical ID:
5536903
Name [?]:
4-methyl-2-(4-methylcyclohexyl)carbonylamino-pentanoic acid
SMILES [?]:
CC1CCC(CC1)C(=O)NC(CC(C)C)C(=O)O
InChi [?]:
InChI=1/C14H25NO3/c1-9(2)8-12(14(17)18)15-13(16)11-6-4-10(3)5-7-11/h9-12H,4-8H2,1-3H3,(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:14,15,1,3,7,4,6,12,13,2,5,11,8,16,10,9,17,18/E:(1,2)(4,5)(6,7)(17,18)/rA:18cCCCCCCCCONCCCCCCOO/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;s12;s13;s13;s11;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H25NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:9.04728
Area:462.194
Solvation:-2.50757
Coulombic:-49.0859
Bond Count [?]
All:18
Single:16
Double:2
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:255.353
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.47
LogP (Chemaxon):2.69

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