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Molecule
L-Cycloserine
CAS: 339-72-0 · C3H6N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 339-72-0
- Molecular Formula
- C3H6N2O2
- Molecular Mass
- 102.09 g/mol
Identifiers
CAS Registry Number
339-72-0
SMILES
N[C@H]1CON=C1O
InChI Key
DYDCUQKUCUHJBH-REOHCLBHSA-N
InChI
InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m0/s1
Names and Synonyms
- L-Cycloserine Synonym
- 3-Isoxazolidinone, 4-amino-, (4S)- Synonym
- 3-Isoxazolidinone, 4-amino-, (-)- Synonym
- 3-Isoxazolidinone, 4-amino-, (S)- Synonym
- (4S)-4-Amino-3-isoxazolidinone Synonym
- L-Cycloserine Synonym
- (S)-Cycloserine Synonym
- l-4-Amino-3-isoxazolidinone Synonym
- (S)-(-)-Cycloserine Synonym
- L-4-Amino-3-isoxazolidinone Synonym
- Cyclo-L-serine Synonym
- Levcycloserine Synonym
- (4S)-4-Amino-4,5-dihydro-1,2-oxazol-3-ol Synonym
- (4S)-4-Amino-1,2-oxazolidin-3-one Synonym
- (4S)-4-Azaniumyl-4,5-dihydro-1,2-oxazol-3-olate Synonym
- (S)-4-Aminoisoxazolidin-3-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 102.09 g/mol | CAS Common Chemistry |
| 102.09299999999999 g/mol | RDKit | |
| 102.093 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-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DYDCUQKUCUHJBH-REOHCLBHSA-N | CAS Common Chemistry |
| Melting Point | 153-154 °C | CAS Common Chemistry |
| Name | L-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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 102.042927432 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 102.09 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H6N2O2.
