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
   -2.6663   -0.2459    0.6365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4219   -0.4930   -0.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5446   -1.2190   -1.1787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2302    0.1230    0.2373 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9771   -0.0241   -0.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1627   -0.7191   -1.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1460    0.6754    0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2541    0.5952   -0.4129 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0134    1.4379    1.2614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6505    0.7706    1.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5556   -0.3466   -0.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6387   -0.9677    1.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2892    0.7324    1.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4249   -1.2727   -2.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1648   -0.7776   -1.9581 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8540    1.7312    1.7559 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