Chemical ID: 6679934

C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-]
Chemical ID:
6679934
Name [?]:
2-[2-(carboxylatomethyl-(carboxymethyl)amino)ethyl-(carboxymethyl)amino]acetate
SMILES [?]:
C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-]
InChi [?]:
InChI=1/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-2
InChi Info:
AuxInfo=1/1/N:1,2,13,17,4,8,14,18,5,9,12,3,15,16,19,20,6,7,10,11/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14,15,16,17,18,19,20)/gE:(1,2,3,4)/rA:20cCCNCCOOCCOO-NCCOOCCOO-/rB:s1;s2;s3;s4;d5;s5;s3;s8;d9;s9;s1;s12;s13;d14;s14;s12;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14N2O8-2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:-93.8061
Area:487.391
Solvation:-105.991
Coulombic:-42.2248
Bond Count [?]
All:19
Single:15
Double:4
Rotors:11
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:290.227
H-Bond Donors:2
H-Bond Acceptors:10
XLogP:-3.52
LogP (Chemaxon):-5.72

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