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
   -2.8628   -0.2132   -0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3732   -0.5455   -0.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0030   -1.7173   -0.3279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4809    0.5033    0.0448 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9153    0.3731    0.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6088    1.5249    0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7314   -0.7909   -0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3722   -1.9715   -0.2798 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1560   -0.6929   -0.0058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1408    0.2618    0.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4341   -1.1452   -0.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0907    0.4712   -0.9962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8803    1.4934    0.1866 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0794    2.4428    0.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6830    1.5348    0.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7197   -1.5289    0.2029 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