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
    2.7572    0.4572    0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4848   -0.2934   -0.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5943   -1.4383   -0.6334 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2161    0.2681    0.0800 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0076   -0.4031   -0.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1645   -1.6086   -0.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2196    0.3942    0.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3638   -0.1015    0.0865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1377    1.6789    0.7203 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5805    1.1224    0.9290 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9680    1.0439   -0.8694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5869   -0.2383    0.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2347    1.2660    0.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1992   -1.9860   -0.6866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4316   -2.3241   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8984    2.1627    1.1791 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