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Chemical ID: 6935606
Chemical ID:
6935606
Name [?]:
ethyl 2-(2,2-dimethylbutanoylamino)acetate
SMILES [?]:
CCC(C)(C)C(=O)NCC(=O)OCC
InChi [?]:
InChI=1/C10H19NO3/c1-5-10(3,4)9(13)11-7-8(12)14-6-2/h5-7H2,1-4H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,14,4,5,2,13,9,10,6,3,8,11,7,12/E:(3,4)/rA:14nCCCCCCONCCOOCC/rB:s1;s2;s3;s3;s3;d6;s6;s8;s9;d10;s10;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H19NO3 |
All Atoms: | 33 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.96736 |
Area: | 405.858 |
Solvation: | -2.17907 |
Coulombic: | -40.4865 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 201.263 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.15 |
LogP (Chemaxon): | 1.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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