ChemDB: Chemical Search
Download
Chemical ID: 6048576
Chemical ID:
6048576
Name [?]:
tert-butyl pyrrolidin-3-ylaminoformate
SMILES [?]:
CC(C)(C)OC(=O)NC1CCNC1
InChi [?]:
InChI=1/C9H18N2O2/c1-9(2,3)13-8(12)11-7-4-5-10-6-7/h7,10H,4-6H2,1-3H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,11,13,9,6,2,12,8,7,5/E:(1,2,3)/rA:13cCCCCOCONCCCNC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s9s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H18N2O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.54266 |
Area: | 364.814 |
Solvation: | -1.57769 |
Coulombic: | -42.394 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 186.251 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.98 |
LogP (Chemaxon): | -0.37 |
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 |
---|