Chemical ID: 3970368

CC(C)C1C(=O)N(C(=O)N1CC=C)C(C)C(=O)O
Chemical ID:
3970368
Name [?]:
2-(3-allyl-4-isopropyl-2,5-dioxo-imidazolidin-1-yl)propanoic acid
SMILES [?]:
CC(C)C1C(=O)N(C(=O)N1CC=C)C(C)C(=O)O
InChi [?]:
InChI=1/C12H18N2O4/c1-5-6-13-9(7(2)3)10(15)14(12(13)18)8(4)11(16)17/h5,7-9H,1,6H2,2-4H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:13,1,3,15,12,11,2,14,4,5,16,8,10,7,6,17,18,9/E:(2,3)(16,17)/rA:18cCCCCCONCONCCCCCCOO/rB:s1;s2;s2;s4;d5;s5;s7;d8;s4s8;s10;s11;d12;s7;s14;s14;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N2O4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:7.78706
Area:431.663
Solvation:-3.00451
Coulombic:-63.5599
Bond Count [?]
All:18
Single:14
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:254.282
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.67
LogP (Chemaxon):1.37

Name Annotations

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Descriptor Annotations

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