Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H11NO2
Datos Químicos de C6H11NO2
ID
101205
Molecular Scaffold
gKY@DDfVj@@
Molecular Formula
C6H11NO2
Elemental Composition %
C: 30%
H: 55%
O: 10%
N: 5%
Weight
129.158
Programa de Cálculo
G16
SMILES
C[C@@H](CO)[C@@H](C1)NC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H11NO2/c1-4(3-8)5-2-6(9)7-5/h4-5,8H,2-3H2,1H3,(H,7,9)/t4-,5-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BWMRFFJBRCEWGR-WHFBIAKZSA-N