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L-Cycloserine
CAS: 339-72-0 | C3H6N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
339-72-0
Molecular Formula:
C3H6N2O2
Molecular Weight:
102.09299999999999 g/mol
Names and Synonyms:
L-Cycloserine
3-Isoxazolidinone, 4-amino-, (4S)-
3-Isoxazolidinone, 4-amino-, (-)-
3-Isoxazolidinone, 4-amino-, (S)-
(4S)-4-Amino-3-isoxazolidinone
L-Cycloserine
(S)-Cycloserine
l-4-Amino-3-isoxazolidinone
(S)-(-)-Cycloserine
L-4-Amino-3-isoxazolidinone
Cyclo-L-serine
Levcycloserine
(4S)-4-Amino-4,5-dihydro-1,2-oxazol-3-ol
(4S)-4-Amino-1,2-oxazolidin-3-one
(4S)-4-Azaniumyl-4,5-dihydro-1,2-oxazol-3-olate
(S)-4-Aminoisoxazolidin-3-one
Identifiers:
SMILES:
N[C@H]1CON=C1O
InChI:
InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/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 | 102.09299999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 102.042927432 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 67.84 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.7846 | RDKit |
| molecular_mass | 102.09 g/mol | Legacy Database |
| cas-canonical-smile | O=C1NOCC1N None | Legacy Database |
| cas-inchi | InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=DYDCUQKUCUHJBH-REOHCLBHSA-N None | Legacy Database |
| cas-melting-point | 153-154 °C None | Legacy Database |
| cas-name | L-Cycloserine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.991199999999996 | RDKit |
