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
   -2.7935   -0.2230    0.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3486   -0.5585    0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0760   -1.7477    0.0727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4149    0.4909    0.1311 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9430    0.3947   -0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6117    1.5756   -0.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6824   -0.8119   -0.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2048   -1.9451   -0.3600 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0784   -0.7703   -0.6084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4480   -1.0046    0.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0259    0.7342   -0.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8713   -0.0889    1.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8461    1.4652    0.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723    2.4690    0.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6629    1.5946   -0.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5686   -1.5743   -0.9795 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