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Homoserine
CAS: 672-15-1 | C4H9NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
672-15-1
Molecular Formula:
C4H9NO3
Molecular Weight:
119.11999999999998 g/mol
Names and Synonyms:
Homoserine
L-Homoserine
Butyric acid, 2-amino-4-hydroxy-, L-
Homoserine
Butanoic acid, 2-amino-4-hydroxy-, (S)-
(S)-2-Amino-4-hydroxybutanoic acid
(S)-Homoserine
Butyric acid, 2-amino-4-hydroxy-
2-Amino-4-hydroxybutanoic acid
2-Amino-4-hydroxybutyric acid
NSC 206251
(2S)-2-Amino-4-hydroxybutanoic acid
Identifiers:
SMILES:
N[C@@H](CCO)C(=O)O
InChI:
InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
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 | 3 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 |
| wikipedia_url | https://en.wikipedia.org/wiki/Homoserine None | Legacy Database |
| cas-canonical-smile | O=C(O)C(N)CCO None | Legacy Database |
| cas-inchi | InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=UKAUYVFTDYCKQA-VKHMYHEASA-N None | Legacy Database |
| cas-melting-point | 203 °C (decomp) None | Legacy Database |
| cas-name | L-Homoserine None | Legacy Database |
| wikipedia-name | Homoserine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 27.313999999999993 | RDKit |
