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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 Mass:
102.09 g/mol
Names and Synonyms:
(+)-Cycloserine
3-Isoxazolidinone, 4-amino-, (4R)-
3-Isoxazolidinone, 4-amino-, (+)-
3-Isoxazolidinone, 4-amino-, (R)-
(4R)-4-Amino-3-isoxazolidinone
D-4-Amino-3-isoxazolidone
Cyclo-D-serine
Oxamycin
d-4-Amino-3-isoxazolidinone
D-4-Amino-3-isoxazolidinone
(+)-Cycloserine
α-Cycloserine
Cycloserine
Orientomycin
Cyclorin
Farmiserina
Tisomycin
Miroseryn
Wasserina
Novoserin
D-Cycloserine
(R)-(+)-Cycloserine
(R)-Cycloserine
D-CS
Seromycin
(R)-4-Amino-3-isoxazolidinone
Closerin
Micoserina
PA 94
Closina
NSC 154851
NSC 76029
(R)-4-Aminoisoxazolidin-3-one
(4R)-4-Amino-1,2-oxazolidin-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-/m1/s1
Key Properties
Melting Point
155-156 °C (decomp)
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 | 102.09 g/mol | CAS Common Chemistry |
| 102.09299999999999 g/mol | RDKit | |
| 102.042927432 g/mol | RDKit | |
| Canonical SMILES | O=C1NOCC1N | CAS Common Chemistry |
| InChI | InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DYDCUQKUCUHJBH-UWTATZPHSA-N | CAS Common Chemistry |
| Melting Point | 155-156 °C (decomp) | CAS Common Chemistry |
| Name | (+)-Cycloserine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 67.84 Ų | RDKit |
| LogP | -0.7846 | RDKit |
| Molar Refractivity | 23.991199999999996 | RDKit |
