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
    2.8544   -0.4734   -0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5559    0.2612   -0.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5361    1.3390   -1.0565 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3741   -0.3192    0.0858 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9152    0.2447   -0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2527    1.3471   -0.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207   -0.5348    0.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8091   -1.6174    1.1736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3352   -0.0986    0.5206 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7176    0.1977   -0.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9430   -1.2542   -0.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7670   -1.0039    0.7722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5133   -1.2377    0.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5489    1.9856   -1.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2920    1.6459   -0.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0875   -0.4820    1.0384 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