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
    2.6954    0.5217   -0.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4842   -0.3222   -0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6305   -1.5539    0.0074 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2124    0.2518    0.1351 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9925   -0.4114    0.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1102   -1.7094    0.5643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2071    0.3997    0.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3034   -0.1495    0.8666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2043    1.7830    0.4841 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5491    1.5691   -0.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5399    0.0316    0.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9416    0.4701   -1.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2183    1.3249    0.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1152   -2.1272    0.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -2.4428    0.4726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0055    2.3644    0.7148 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