Chemical ID: 3970334

CC(C)CC1C(=O)N(C(=O)N1CC=C)C(CC(C)C)C(=O)O
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

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