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
    2.7328    0.0550    0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2706    0.4062    0.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9882    1.6092    0.1453 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2886   -0.5754    0.0161 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0972   -0.4319   -0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8255   -1.5708   -0.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8309    0.7847    0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1222    0.6634    0.0062 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3270    2.0742    0.1189 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0524   -0.2920    1.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9031   -0.7617   -0.6408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3460    0.9111   -0.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7048   -1.5899   -0.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3413   -2.5279   -0.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8992   -1.5475   -0.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8432    2.7933   -0.4113 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