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
    0.0825   -0.3122    2.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1882    0.2287    1.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8351    1.2805    1.2944 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2880   -0.4563    0.2969 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1611   -0.1507   -1.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7215   -0.9887   -1.9181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5184    0.9888   -1.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1046    1.8896   -0.9763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5641    1.1694   -3.0198 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2304    0.3969    3.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4467   -1.2717    2.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1676   -0.5424    2.7963 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8359   -1.3587    0.5405 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6632   -0.8154   -2.9686 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2333   -1.8428   -1.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2657    1.7849   -3.4117 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