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Chemical ID: 6670763
Chemical ID:
6670763
Name [?]:
methyl 2-acetamido-4-methyl-pentanoate
SMILES [?]:
CC(C)CC(C(=O)OC)NC(=O)C
InChi [?]:
InChI=1/C9H17NO3/c1-6(2)5-8(9(12)13-4)10-7(3)11/h6,8H,5H2,1-4H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,3,13,9,4,2,11,5,6,10,12,7,8/E:(1,2)/rA:13cCCCCCCOOCNCOC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s5;s10;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H17NO3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.69691 |
Area: | 379.987 |
Solvation: | -2.80276 |
Coulombic: | -39.0395 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 187.236 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.37 |
LogP (Chemaxon): | 0.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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