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
    2.7017   -0.1032    0.7009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2304   -0.3258    0.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8933   -0.8555    2.0674 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3100    0.0793   -0.0033 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0933   -0.0647    0.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7037   -0.5776    1.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8928    0.4264   -1.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1358    0.3082   -0.9451 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2585    0.9724   -2.1147 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0559   -0.9206    0.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8546    0.8459    0.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2384   -0.0469    1.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7332    0.5185   -0.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2714   -0.9663    2.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8088   -0.6364    1.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8532    1.3462   -2.8650 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