ChemDB: Chemical Search
Download
Chemical ID: 7252588
Chemical ID:
7252588
Name [?]:
methyl 3-cyclooctylamino-2-methyl-propanoate
SMILES [?]:
CC(CNC1CCCCCCC1)C(=O)OC
InChi [?]:
InChI=1/C13H25NO2/c1-11(13(15)16-2)10-14-12-8-6-4-3-5-7-9-12/h11-12,14H,3-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,9,8,10,7,11,6,12,3,2,5,13,4,14,15/E:(4,5)(6,7)(8,9)/rA:16cCCCNCCCCCCCCCOOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s5s11;s2;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H25NO2 |
All Atoms: | 41 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.98493 |
Area: | 427.079 |
Solvation: | -1.69203 |
Coulombic: | -28.5866 |
Bond Count [?]
All: | 16 |
Single: | 15 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 227.343 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.37 |
LogP (Chemaxon): | 2.49 |
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 |
---|