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Chemical ID: 5106771
Chemical ID:
5106771
Name [?]:
ethyl 2-(ethoxycarbonyl-methyl-amino)acetate
SMILES [?]:
CCOC(=O)CN(C)C(=O)OCC
InChi [?]:
InChI=1/C8H15NO4/c1-4-12-7(10)6-9(3)8(11)13-5-2/h4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,8,2,12,6,4,9,7,5,10,3,11/rA:13nCCOCOCNCCOOCC/rB:s1;s2;s3;d4;s4;s6;s7;s7;d9;s9;s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H15NO4 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.94428 |
Area: | 384.722 |
Solvation: | -2.67376 |
Coulombic: | -47.3834 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 189.209 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 0.57 |
LogP (Chemaxon): | 0.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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