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
    2.5137    0.6613    1.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3355    0.6014    0.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3327    1.2868   -0.8201 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2557   -0.2406    0.5480 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9199   -0.4543   -0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7950   -1.3275    0.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2662    0.1670   -1.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6114    0.9861   -2.0774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5179   -0.1531   -2.0256 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4317    0.6767    0.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5066    1.6137    1.7432 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5526   -0.2187    1.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4070   -0.7783    1.4963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7223   -1.5433   -0.0971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5520   -1.7926    1.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9510    0.5156   -2.6398 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