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
    2.7411    0.7257    0.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3970    0.7486   -0.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2351    1.4478   -1.2795 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4025   -0.0547    0.3163 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9074   -0.1957   -0.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3584    0.4190   -1.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8515   -1.0861    0.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4717   -1.6960    1.5725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1449   -1.2327    0.1068 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250    1.6089    1.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8908   -0.2327    0.9532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4972    0.7983   -0.3668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6428   -0.6218    1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4013    0.2805   -1.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7869    1.0736   -1.7978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7093   -1.9826    0.4845 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