Chemical ID: 7244621

C=CCN1C(=O)C(=O)N(C1=O)CC(=O)O
Chemical ID:
7244621
Name [?]:
2-(3-allyl-2,4,5-trioxo-imidazolidin-1-yl)acetic acid
SMILES [?]:
C=CCN1C(=O)C(=O)N(C1=O)CC(=O)O
InChi [?]:
InChI=1/C8H8N2O5/c1-2-3-9-6(13)7(14)10(8(9)15)4-5(11)12/h2H,1,3-4H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,3,12,13,5,7,10,4,9,14,15,6,8,11/E:(11,12)/rA:15nCCCNCOCONCOCCOO/rB:d1;s2;s3;s4;d5;s5;d7;s7;s4s9;d10;s9;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N2O5
All Atoms:23
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.94488
Area:376.232
Solvation:-3.46092
Coulombic:-73.1599
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:212.16
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:-1.16
LogP (Chemaxon):-0.44

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