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Chemical ID: 4773500
Chemical ID:
4773500
Name [?]:
2,2-diureidoacetic acid
SMILES [?]:
C(C(=O)O)(NC(=O)N)NC(=O)N
InChi [?]:
InChI=1/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,8,12,5,9,3,4,7,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)/gE:(2,3)/rA:12nCCOONCONNCON/rB:s1;d2;s2;s1;s5;d6;s6;s1;s9;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C4H8N4O4 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.69573 |
Area: | 334.62 |
Solvation: | -3.66976 |
Coulombic: | -103.428 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 176.131 |
H-Bond Donors: | 7 |
H-Bond Acceptors: | 8 |
XLogP: | -2.92 |
LogP (Chemaxon): | -2.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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