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Chemical ID: 5254809
Chemical ID:
5254809
Name [?]:
2-[5-(carboxymethyl)-3,6-dioxo-piperazin-2-yl]acetic acid
SMILES [?]:
C(C1C(=O)NC(C(=O)N1)CC(=O)O)C(=O)O
InChi [?]:
InChI=1/C8H10N2O6/c11-5(12)1-3-7(15)10-4(2-6(13)14)8(16)9-3/h3-4H,1-2H2,(H,9,16)(H,10,15)(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,10,2,6,14,11,3,7,9,5,15,16,12,13,4,8/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12,13,14)(15,16)/gE:(1,2)(3,4)/rA:16cCCCONCCONCCOOCOO/rB:s1;s2;d3;s3;s5;s6;d7;s2s7;s6;s10;d11;s11;s1;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H10N2O6 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.32998 |
Area: | 391.898 |
Solvation: | -4.46747 |
Coulombic: | -91.0344 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 230.175 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 8 |
XLogP: | -2.37 |
LogP (Chemaxon): | -2.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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