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Chemical ID: 3970354
Chemical ID:
3970354
Name [?]:
2-(3-allyl-4-isobutyl-2,5-dioxo-imidazolidin-1-yl)-3-methyl-butanoic acid
SMILES [?]:
CC(C)CC1C(=O)N(C(=O)N1CC=C)C(C(C)C)C(=O)O
InChi [?]:
InChI=1/C15H24N2O4/c1-6-7-16-11(8-9(2)3)13(18)17(15(16)21)12(10(4)5)14(19)20/h6,9-12H,1,7-8H2,2-5H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:14,1,3,17,18,13,12,4,2,16,5,15,6,19,9,11,8,7,20,21,10/E:(2,3)(4,5)(19,20)/rA:21cCCCCCCONCONCCCCCCCCOO/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s5s9;s11;s12;d13;s8;s15;s16;s16;s15;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.71909 |
Area: | 466.48 |
Solvation: | -2.94291 |
Coulombic: | -64.6041 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 296.362 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.11 |
LogP (Chemaxon): | 2.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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