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
   -2.7156    0.5669   -0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5149   -0.3330   -0.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6571   -1.5591    0.0100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2306    0.2465   -0.2050 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9852   -0.4625   -0.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1141   -1.7519   -0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2241    0.3461   -0.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3598   -0.1923   -0.2115 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1911    1.7254   -0.3998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4751    1.5723    0.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5710    0.1347    0.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9403    0.6977   -1.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2254    1.3188   -0.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3401   -2.4916    0.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1511   -2.1544    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9646    2.3363   -0.1244 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