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Chemical ID: 5771170
Chemical ID:
5771170
Name [?]:
5-amino-5-oxo-2-ureido-pentanoic acid
SMILES [?]:
C(CC(=O)N)C(C(=O)O)NC(=O)N
InChi [?]:
InChI=1/C6H11N3O4/c7-4(10)2-1-3(5(11)12)9-6(8)13/h3H,1-2H2,(H2,7,10)(H,11,12)(H3,8,9,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,11,5,13,10,4,8,9,12/E:(11,12)/rA:13cCCCONCCOONCON/rB:s1;s2;d3;s3;s1;s6;d7;s7;s6;s10;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H11N3O4 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.95319 |
Area: | 365.619 |
Solvation: | -4.18728 |
Coulombic: | -87.8971 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 189.169 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 7 |
XLogP: | -2.51 |
LogP (Chemaxon): | -2.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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