Monomers
Sodium 3-acrylamido-3-methylbutanoate
Identifiers
IUPAC name
sodium;3-methyl-3-(prop-2-enoylamino)butanoate
InchI
InChI=1S/C8H13NO3.Na/c1-4-6(10)9-8(2,3)5-7(11)12;/h4H,1,5H2,2-3H3,(H,9,10)(H,11,12);/q;+1/p-1
InchI Key
UYQMMKJPYKVVIC-UHFFFAOYSA-M
SMILES
C=CC(=O)NC(CC(=O)[O-])(C)C.[Na+]
Canonical SMILES
CC(C)(CC(=O)[O-])NC(=O)C=C.[Na+]
Isomeric SMILES
CC(C)(CC(=O)[O-])NC(=O)C=C.[Na+]
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H12NNaO3
Heavy Atom Count
13
Molecular Weight
193.178
Exact Molecular Weight
193.0715
Valence Electrons
68
Radical Electrons
0
tPSA
69.23
MolLogP
-3.7888
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
25 23 0 0 0 0 0 0 0 0999 V2000
4.1817 0.3619 0.4624 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0742 0.6373 -0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7690 0.1074 0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6506 -0.6456 1.2108 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5943 0.4160 -0.5343 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7303 -0.0802 -0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7142 0.4688 -1.2179 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0976 0.0407 -0.9819 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4673 -1.1077 -1.3731 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0553 0.8214 -0.3444 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.1760 0.3631 1.1849 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7902 -1.5910 -0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
4.2158 -0.2625 1.3357 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1233 0.7752 0.1291 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1142 1.2734 -1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7366 1.0495 -1.3773 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6562 1.5964 -1.2454 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4004 0.1656 -2.2521 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1025 -0.2236 1.4151 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3957 0.2032 1.9344 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5035 1.4357 1.1616 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5968 -1.8308 -1.3586 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0181 -2.0632 0.3295 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7917 -1.9109 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 2 0
8 10 1 0
6 11 1 0
6 12 1 0
1 14 1 0
1 15 1 0
2 16 1 0
5 17 1 0
7 18 1 0
7 19 1 0
11 20 1 0
11 21 1 0
11 22 1 0
12 23 1 0
12 24 1 0
12 25 1 0
M CHG 2 10 -1 13 1
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers