Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H9N2O2
Datos Químicos de C5H9N2O2
ID
77142
Molecular Scaffold
gBX@@eJuT@bS@
Molecular Formula
C5H9N2O2
Elemental Composition %
C: 27.7777777777778%
H: 50%
O: 11.1111111111111%
N: 11.1111111111111%
Weight
129.138
Programa de Cálculo
G16
SMILES
CN([C@@H](C1)C(O)=O)[C@@]1N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H10N2O2/c1-7-3(5(8)9)2-4(7)6/h3-4H,2,6H2,1H3,(H,8,9)/t3-,4-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CKXSMQAKMVQAIN-IMJSIDKUSA-N