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(+)-Cycloserine
CAS: 68-41-7 | C3H6N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
68-41-7
Molecular Formula:
C3H6N2O2
Molecular Weight:
102.09299999999999 g/mol
Names and Synonyms:
(+)-Cycloserine
(4R)-4-Amino-1,2-oxazolidin-3-one
(R)-4-Aminoisoxazolidin-3-one
NSC 76029
NSC 154851
Closina
PA 94
Micoserina
Closerin
(R)-4-Amino-3-isoxazolidinone
Seromycin
D-CS
(R)-Cycloserine
(R)-(+)-Cycloserine
D-Cycloserine
Novoserin
Wasserina
Miroseryn
Tisomycin
Farmiserina
Cyclorin
Orientomycin
Cycloserine
α-Cycloserine
(+)-Cycloserine
D-4-Amino-3-isoxazolidinone
d-4-Amino-3-isoxazolidinone
Oxamycin
Cyclo-D-serine
D-4-Amino-3-isoxazolidone
(4R)-4-Amino-3-isoxazolidinone
3-Isoxazolidinone, 4-amino-, (R)-
3-Isoxazolidinone, 4-amino-, (+)-
3-Isoxazolidinone, 4-amino-, (4R)-
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-/m1/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-/m1/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=DYDCUQKUCUHJBH-UWTATZPHSA-N None | Legacy Database |
| cas-melting-point | 155-156 °C (decomp) None | Legacy Database |
| cas-name | (+)-Cycloserine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.991199999999996 | RDKit |
