ChemDB: Chemical Search
Download
Chemical ID: 5536903
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|