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
    2.8398   -0.1083    0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4093    0.3993    0.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1905    1.5950    0.2807 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3942   -0.5159   -0.1447 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9849   -0.2520   -0.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172   -1.3699   -0.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6702    0.9973   -0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1421    2.0953    0.0700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0705    1.0047   -0.3375 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5156    0.7451    0.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0326   -0.8486   -0.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0397   -0.5125    1.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425   -1.5427   -0.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2562   -2.3312   -0.6300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7688   -1.2410   -0.6481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5541    1.8855   -0.3902 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