Chemical ID: 4916085

C(C(=O)N)N(CC(=O)[OH2+])CC(=O)[OH2+]
Chemical ID:
4916085
Name [?]:
[2-(carbamoylmethyl-(oxoniocarbonylmethyl)amino)acetyl]oxonium
SMILES [?]:
C(C(=O)N)N(CC(=O)[OH2+])CC(=O)[OH2+]
InChi [?]:
InChI=1/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)/p+2
InChi Info:
AuxInfo=1/1/N:1,6,10,2,7,11,4,5,3,8,9,12,13/E:(2,3)(5,6)(10,11,12,13)/gE:(2,3)/rA:13nCCONNCCOO+CCOO+/rB:s1;d2;s2;s1;s5;s6;d7;s7;s5;s10;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H12N2O5+2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-101.608
Area:349.133
Solvation:-110.337
Coulombic:-72.9457
Bond Count [?]
All:12
Single:9
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:192.17
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:-2.52
LogP (Chemaxon):-4.1

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