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
    0.9935   -1.0861   -2.3684 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3689   -1.1328   -0.9942 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0532   -2.2247   -0.4759 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1428    0.0637   -0.2962 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4246    0.2059    0.9826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8364   -0.7802    1.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5722    1.5669    1.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0682    1.7178    2.6563 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1569    2.6339    0.7913 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0405   -0.7712   -2.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345   -2.0618   -2.8719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4178   -0.3084   -2.9256 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    0.9610   -0.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2734   -0.5853    2.7301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7998   -1.8129    1.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2613    3.6142    1.0825 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