Chemical ID: 5254809

C(C1C(=O)NC(C(=O)N1)CC(=O)O)C(=O)O
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

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