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L-Isoserine
CAS: 632-13-3 | C3H7NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
632-13-3
Molecular Formula:
C3H7NO3
Molecular Mass:
105.09 g/mol
Names and Synonyms:
L-Isoserine
Propanoic acid, 3-amino-2-hydroxy-, (2S)-
Propanoic acid, 3-amino-2-hydroxy-, (S)-
(2S)-3-Amino-2-hydroxypropanoic acid
L-Isoserine
(S)-Isoserine
(2S)-3-Amino-2-hydroxypropanoic acid
Identifiers:
SMILES:
NC[C@H](O)C(=O)O
InChI:
InChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
Key Properties
Melting Point
99-200 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 105.09 g/mol | CAS Common Chemistry |
| 105.09299999999999 g/mol | RDKit | |
| 105.042593084 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(O)CN | CAS Common Chemistry |
| InChI | InChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BMYNFMYTOJXKLE-REOHCLBHSA-N | CAS Common Chemistry |
| Melting Point | 99-200 °C | CAS Common Chemistry |
| Name | L-Isoserine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 83.55 Ų | RDKit |
| LogP | -1.6093999999999997 | RDKit |
| Molar Refractivity | 22.696999999999996 | RDKit |
