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Chemical ID: 3999136
Chemical ID:
3999136
Name [?]:
2-ureidopentanedioic acid
SMILES [?]:
C(CC(=O)O)C(C(=O)O)NC(=O)N
InChi [?]:
InChI=1/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,11,13,10,4,5,8,9,12/E:(9,10)(11,12)/rA:13cCCCOOCCOONCON/rB:s1;s2;d3;s3;s1;s6;d7;s7;s6;s10;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H10N2O5 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.95544 |
Area: | 363.861 |
Solvation: | -4.14107 |
Coulombic: | -89.2384 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 190.154 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 7 |
XLogP: | -1.78 |
LogP (Chemaxon): | -1.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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