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
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
-2.8583 0.1762 0.3049 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3911 0.5223 0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0213 1.6799 0.5350 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4637 -0.4708 -0.0618 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9368 -0.3848 -0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5951 -1.4908 -0.4958 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7606 0.7826 0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3814 1.9264 0.3998 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1674 0.6859 -0.0703 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0988 -0.0340 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4785 1.0172 -0.0619 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0199 -0.6775 -0.3628 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8938 -1.4217 -0.2689 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0495 -2.3864 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6521 -1.4718 -0.5797 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6824 1.5471 -0.1992 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