ChemDB: Chemical Search
Download
Chemical ID: 5060326
Chemical ID:
5060326
Name [?]:
8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid
SMILES [?]:
CN1C2CCC(C1CC2)C(=O)O
InChi [?]:
InChI=1/C9H15NO2/c1-10-6-2-4-7(9(11)12)8(10)5-3-6/h6-8H,2-5H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,4,9,5,8,3,6,7,10,2,11,12/E:(11,12)/rA:12cCNCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s2s6;s7;s3s8;s6;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H15NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 5.78719 |
Area: | 307.399 |
Solvation: | -1.89779 |
Coulombic: | -30.8072 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 169.221 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.56 |
LogP (Chemaxon): | -1.85 |
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 |
---|