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
    2.8375    0.2470    0.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3515    0.5798    0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0307    1.7742    0.2061 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4656   -0.5068    0.1027 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345   -0.3938    0.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5822   -1.6013    0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7186    0.8078    0.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3165    1.9714    0.2961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1296    0.6413    0.2860 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3520    1.0283    0.6907 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1898    0.2878   -0.9657 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9881   -0.7240    0.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9119   -1.4989    0.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0606   -2.5225    0.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6553   -1.5469    0.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7297    1.4565    0.3266 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