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Chemical ID: 6137912
Chemical ID:
6137912
Name [?]:
methyl 2-(2-ethylhexanoylamino)acetate
SMILES [?]:
CCCCC(CC)C(=O)NCC(=O)OC
InChi [?]:
InChI=1/C11H21NO3/c1-4-6-7-9(5-2)11(14)12-8-10(13)15-3/h9H,4-8H2,1-3H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,7,15,2,6,3,4,11,5,12,8,10,13,9,14/rA:15cCCCCCCCCONCCOOC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;d12;s12;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H21NO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.63132 |
Area: | 438.471 |
Solvation: | -2.33046 |
Coulombic: | -40.5349 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 215.289 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.24 |
LogP (Chemaxon): | 1.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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