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Chemical ID: 3970334
Chemical ID:
3970334
Name [?]:
2-(3-allyl-4-isobutyl-2,5-dioxo-imidazolidin-1-yl)-4-methyl-pentanoic acid
SMILES [?]:
CC(C)CC1C(=O)N(C(=O)N1CC=C)C(CC(C)C)C(=O)O
InChi [?]:
InChI=1/C16H26N2O4/c1-6-7-17-12(8-10(2)3)14(19)18(16(17)22)13(15(20)21)9-11(4)5/h6,10-13H,1,7-9H2,2-5H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:14,1,3,18,19,13,12,4,16,2,17,5,15,6,20,9,11,8,7,21,22,10/E:(2,3)(4,5)(20,21)/rA:22cCCCCCCONCONCCCCCCCCCOO/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s5s9;s11;s12;d13;s8;s15;s16;s17;s17;s15;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H26N2O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.33191 |
Area: | 489.082 |
Solvation: | -2.89515 |
Coulombic: | -64.8459 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 310.389 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.89 |
LogP (Chemaxon): | 2.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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