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Chemical ID: 3998737
Chemical ID:
3998737
Name [?]:
2-(2,5-dioxoimidazolidin-1-yl)acetic acid
SMILES [?]:
C1C(=O)N(C(=O)N1)CC(=O)O
InChi [?]:
InChI=1/C5H6N2O4/c8-3-1-6-5(11)7(3)2-4(9)10/h1-2H2,(H,6,11)(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,8,2,9,5,7,4,3,10,11,6/E:(9,10)/rA:11nCCONCONCCOO/rB:s1;d2;s2;s4;d5;s1s5;s4;s8;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H6N2O4 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.01634 |
Area: | 299.882 |
Solvation: | -3.4807 |
Coulombic: | -63.4561 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 158.112 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | -1.79 |
LogP (Chemaxon): | -1.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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