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Chemical ID: 6688754
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
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Experimental Annotations
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Descriptor Annotations
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