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
   -2.5780   -0.1684    1.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2202   -0.3840    0.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1161   -1.4186   -0.3055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2016    0.5485    0.4972 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714    0.4668   -0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9513    1.4820    0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5982   -0.5734   -0.8656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8182   -0.5273   -1.3140 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9280   -1.6817   -1.2574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6601    0.8904    1.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3166   -0.3803    0.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7210   -0.8875    1.8222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4546    1.4259    1.1128 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9460    1.4913   -0.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6012    2.2800    0.8147 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3539   -2.5636   -1.4633 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