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Molecule
S-Ampa
CAS: 83643-88-3 · C7H10N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 83643-88-3
- Molecular Formula
- C7H10N2O4
- Molecular Mass
- 186.17 g/mol
Identifiers
CAS Registry Number
83643-88-3
SMILES
Cc1onc(O)c1C[C@H](N)C(=O)O
InChI Key
UUDAMDVQRQNNHZ-YFKPBYRVSA-N
InChI
InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
Names and Synonyms
- S-Ampa Synonym
- 4-Isoxazolepropanoic acid, α-amino-2,3-dihydro-5-methyl-3-oxo-, (αS)- Synonym
- 4-Isoxazolepropanoic acid, α-amino-2,3-dihydro-5-methyl-3-oxo-, (S)- Synonym
- (αS)-α-Amino-2,3-dihydro-5-methyl-3-oxo-4-isoxazolepropanoic acid Synonym
- L-AMPA Synonym
- S-AMPA Synonym
- (2S)-2-Amino-3-(5-methyl-3-oxo-4-isoxazolyl)propanoic acid Synonym
- (2S)-2-Amino-3-(5-methyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)propanoic acid Synonym
- (2S)-2-Amino-3-(3-hydroxy-5-methyl-1,2-oxazol-4-yl)propanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 186.17 g/mol | CAS Common Chemistry |
| 186.16699999999997 g/mol | RDKit | |
| 186.167 g/mol | RDKit | |
| 187.175 g/mol | chempirical lib | |
| Canonical SMILES | O=C(O)C(N)CC=1C(=O)NOC1C | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=UUDAMDVQRQNNHZ-YFKPBYRVSA-N | CAS Common Chemistry |
| Name | S-AMPA | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 109.58 Ų | RDKit |
| 105.14 Ų | chempirical lib | |
| LogP | -0.35698000000000013 | RDKit |
| -0.357 | RDKit | |
| Molar Refractivity | 42.22 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4286 | RDKit |
| Exact Mass | 186.0640568 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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 = 186.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H10N2O4.
