ChemDB: Chemical Search
Download
Chemical ID: 6835968
Chemical ID:
6835968
Name [?]:
5-oxo-1-tert-butyl-pyrrolidine-3-carboxylate
SMILES [?]:
CC(C)(C)N1CC(CC1=O)C(=O)[O-]
InChi [?]:
InChI=1/C9H15NO3/c1-9(2,3)10-5-6(8(12)13)4-7(10)11/h6H,4-5H2,1-3H3,(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,4,8,6,7,9,11,2,5,10,12,13/E:(1,2,3)(12,13)/rA:13cCCCCNCCCCOCOO-/rB:s1;s2;s2;s2;s5;s6;s7;s5s8;d9;s7;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H14NO3- |
All Atoms: | 27 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -32.5504 |
Area: | 344.855 |
Solvation: | -41.1717 |
Coulombic: | -16.6127 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 184.212 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | -0.3 |
LogP (Chemaxon): | -0.09 |
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 |
---|