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Chemical ID: 6667729
Chemical ID:
6667729
Name [?]:
ethyl 2-(2-benzyloxycarbonylaminoacetyl)aminoacetate
SMILES [?]:
CCOC(=O)CNC(=O)CNC(=O)OCc1ccccc1
InChi [?]:
InChI=1/C14H18N2O5/c1-2-20-13(18)9-15-12(17)8-16-14(19)21-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,15,17)(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,20,17,21,10,6,15,16,8,4,12,7,11,9,5,13,3,14/E:(4,5)(6,7)/rA:21nCCOCOCNCOCNCOOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2O5 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.92704 |
Area: | 546.413 |
Solvation: | -3.73329 |
Coulombic: | -74.1065 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 294.303 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 0.89 |
LogP (Chemaxon): | 0.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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