Monomers

2-Acetamidoacrylic acid

Identifiers

IUPAC name
2-acetamidoprop-2-enoic acid
InchI
InChI=1S/C5H7NO3/c1-3(5(8)9)6-4(2)7/h1H2,2H3,(H,6,7)(H,8,9)
InchI Key
UFDFFEMHDKXMBG-UHFFFAOYSA-N
SMILES
CC(=O)NC(=C)C(=O)O
Canonical SMILES
CC(=O)NC(=C)C(=O)O
Isomeric SMILES
CC(=O)NC(=C)C(=O)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H7NO3
Heavy Atom Count
9
Molecular Weight
129.115
Exact Molecular Weight
129.0426
Valence Electrons
50
Radical Electrons
0
tPSA
66.4
MolLogP
-0.2792
H Bond Acceptors
2
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 16 15  0  0  0  0  0  0  0  0999 V2000
    2.6841    0.0390   -0.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2607    0.3855   -0.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9359    1.5781   -0.5483 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3054   -0.5750   -0.1604 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0542   -0.4349    0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7544   -1.5670    0.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8408    0.7800    0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0991    0.7093    0.3903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4196    2.0626   -0.1189 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7291   -0.9747   -1.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1124    0.7828   -1.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2890    0.0272    0.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6888   -1.5833   -0.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2321   -2.5036    0.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8020   -1.5398    0.5978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8032    2.8139    0.4386 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  4 13  1  0
  6 14  1  0
  6 15  1  0
  9 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers