Chemical ID: 6688754

CC(C)(C)OC(=O)CNCC(=O)OC(C)(C)C
Chemical ID:
6688754
Name [?]:
tert-butyl 2-(tert-butoxycarbonylmethylamino)acetate
SMILES [?]:
CC(C)(C)OC(=O)CNCC(=O)OC(C)(C)C
InChi [?]:
InChI=1/C12H23NO4/c1-11(2,3)16-9(14)7-13-8-10(15)17-12(4,5)6/h13H,7-8H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,15,16,17,8,10,6,11,2,14,9,7,12,5,13/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(14,15)(16,17)/rA:17nCCCCOCOCNCCOOCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s11;s13;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H23NO4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.10604
Area:459.603
Solvation:-3.38403
Coulombic:-45.5439
Bond Count [?]
All:16
Single:14
Double:2
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:245.315
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.83
LogP (Chemaxon):0.61

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue