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Chemical ID: 7177474
Chemical ID:
7177474
Name [?]:
methyl 4-methyl-2-(3-methylbutanoylamino)pentanoate
SMILES [?]:
CC(C)CC(C(=O)OC)NC(=O)CC(C)C
InChi [?]:
InChI=1/C12H23NO3/c1-8(2)6-10(12(15)16-5)13-11(14)7-9(3)4/h8-10H,6-7H2,1-5H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,9,4,13,2,14,5,11,6,10,12,7,8/E:(1,2)(3,4)/rA:16cCCCCCCOOCNCOCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s5;s10;d11;s11;s13;s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H23NO3 |
All Atoms: | 39 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.63522 |
Area: | 429.632 |
Solvation: | -2.10557 |
Coulombic: | -40.8794 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 229.316 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.7 |
LogP (Chemaxon): | 1.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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