Back to Search
2-Methylserine
CAS: 5424-29-3 | C4H9NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5424-29-3
Molecular Formula:
C4H9NO3
Molecular Weight:
119.11999999999998 g/mol
Names and Synonyms:
2-Methylserine
2-Amino-3-hydroxy-2-methylpropanoic acid
2-Amino-3-hydroxy-2-methylpropionic acid
NSC 163492
NSC 12135
NSC 11203
α-Methylserine
DL-α-(Hydroxymethyl)alanine
2-Methyl-DL-serine
α-Methyl-DL-serine
DL-α-Methylserine
DL-2-Methylserine
2-Methylserine
DL-Serine, 2-methyl-
Serine, 2-methyl-, DL-
Serine, 2-methyl-
Identifiers:
SMILES:
CC(N)(CO)C(=O)O
InChI:
InChI=1S/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 119.11999999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 119.058243148 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 83.55 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.2192999999999998 | RDKit |
| molecular_mass | 119.12 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)C(N)(C)CO None | Legacy Database |
| cas-inchi | InChI=1S/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8) None | Legacy Database |
| cas-inchi-key | InChIKey=CDUUKBXTEOFITR-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 243 °C (decomp) @ Solvent: Ethanol None | Legacy Database |
| cas-name | 2-Methylserine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 27.313999999999993 | RDKit |
