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
   -2.7428    0.4680    0.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4929   -0.3690    0.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6386   -1.5948    0.5147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2476    0.2773    0.2461 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9855   -0.3801    0.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1616   -1.6729    0.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2449    0.4127    0.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3713   -0.1306    0.2736 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2027    1.7867    0.0189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7908    1.1065    1.1514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6499   -0.1670    0.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6732    1.1137   -0.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2455    1.3384    0.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2023   -2.0638    0.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3905   -2.4082    0.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9225    2.2831   -0.5255 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