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
    2.7117    0.4949    0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5324   -0.4161    0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6407   -1.6512   -0.0676 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2508    0.1803    0.0254 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9895   -0.4458   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1593   -1.7206   -0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1959    0.4173   -0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3505   -0.0778   -0.0711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1059    1.7993    0.0828 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7742    0.9178    1.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6531    0.0112   -0.1576 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4673    1.3671   -0.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2215    1.2591    0.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1707   -2.1225   -0.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3814   -2.4348   -0.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8985    2.4218   -0.0602 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