Chemical ID: 6679929

C1C(=O)O[Mg]OC(=O)CN1CCN(CC(=O)[O-])CC(=O)[O-]
Chemical ID:
6679929
Name [?]:
2-[carboxylatomethyl-[2-(4,8-dioxo-1,3-dioxa-6-aza-2$l^{2}-magnesacyclooct-6-yl)ethyl]amino]acetate
SMILES [?]:
C1C(=O)O[Mg]OC(=O)CN1CCN(CC(=O)[O-])CC(=O)[O-]
InChi [?]:
InChI=1/C10H16N2O8.Mg/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);/q;+2/p-4
InChi Info:
AuxInfo=1/1/N:11,12,1,9,14,18,2,7,15,19,10,13,3,4,6,8,16,17,20,21;5/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:21nCCOOMgOCOCNCCNCCOO-CCOO-/rB:s1;d2;s2;s4;s5;s6;d7;s7;s1s9;s10;s11;s12;s13;s14;d15;s15;s13;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12MgN2O8-2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:0.0
Area:0.0
Solvation:0.0
Coulombic:0.0
Bond Count [?]
All:21
Single:17
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:312.516
H-Bond Donors:0
H-Bond Acceptors:10
XLogP:-2.81
LogP (Chemaxon):-4.58

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Descriptor Annotations

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