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
    2.0578   -1.1665   -1.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8987   -1.0151   -0.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4384   -2.0286   -0.0352 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4331    0.2919   -0.3997 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6063    0.6598    0.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8620    2.0080    0.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3969   -0.1819    1.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -1.3955    1.3681 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4236    0.4049    2.0586 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6275   -1.0472   -2.5890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5128   -2.1360   -1.3889 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7390   -0.3102   -1.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655    1.0459   -0.9810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2851    2.6743   -0.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6497    2.3773    1.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1531   -0.1812    2.4320 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