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Chemical ID: 6681220
Chemical ID:
6681220
Name [?]:
ethyl 2-(2-tert-butoxycarbonylaminoethylamino)acetate
SMILES [?]:
CCOC(=O)CNCCNC(=O)OC(C)(C)C
InChi [?]:
InChI=1/C11H22N2O4/c1-5-16-9(14)8-12-6-7-13-10(15)17-11(2,3)4/h12H,5-8H2,1-4H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,15,16,17,2,8,9,6,4,11,14,7,10,5,12,3,13/E:(2,3,4)/rA:17nCCOCOCNCCNCOOCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;d11;s11;s13;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H22N2O4 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.92781 |
Area: | 481.249 |
Solvation: | -3.10342 |
Coulombic: | -60.624 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 246.303 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.92 |
LogP (Chemaxon): | 0.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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