ChemDB: Chemical Search
Download
Chemical ID: 6048641
Chemical ID:
6048641
Name [?]:
ethyl tert-butyl pyrrolidine-1,3-dicarboxylate
SMILES [?]:
CCOC(=O)C1CCN(C1)C(=O)OC(C)(C)C
InChi [?]:
InChI=1/C12H21NO4/c1-5-16-10(14)9-6-7-13(8-9)11(15)17-12(2,3)4/h9H,5-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,15,16,17,2,7,8,10,6,4,11,14,9,5,12,3,13/E:(2,3,4)/rA:17cCCOCOCCCNCCOOCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s6s9;s9;d11;s11;s13;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H21NO4 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.83392 |
Area: | 448.627 |
Solvation: | -2.38176 |
Coulombic: | -47.3558 |
Bond Count [?]
All: | 17 |
Single: | 15 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 243.299 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.62 |
LogP (Chemaxon): | 1.09 |
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 |
---|