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
    2.7915   -0.5316    0.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4581    0.1255    0.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4680    1.3665    0.2500 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2885   -0.6224   -0.0121 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0067   -0.1365   -0.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9752   -1.0789   -0.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4547    1.2167   -0.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    2.1924   -0.0942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8428    1.4834   -0.4827 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2339   -0.0641    1.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4184   -0.2389   -0.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6732   -1.6188    0.5323 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4603   -1.6820   -0.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7679   -2.1186   -0.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9827   -0.7591   -0.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0661    2.4664   -0.5292 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