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
    2.8743   -0.4261    0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4195   -0.7478   -0.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0935   -1.9031   -0.4023 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4321    0.2324    0.1049 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9580    0.0632   -0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5743   -1.0503   -0.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8007    1.2375    0.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759    2.3178    0.5343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1659    1.1510    0.1177 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2272    0.2507   -0.7335 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4887   -1.3236    0.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    0.0562    1.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7965    1.1995    0.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6507   -1.0360   -0.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1161   -1.9881   -0.5610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7695    1.9668   -0.0201 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