Basic information
- CAS
98166-05-3- Standard SMILES
Cc1noc(C)c1N[C@@H](C)C(=O)O- InChIKey
XYHVNOTXFLCWOZ-YFKPBYRVSA-N- Molecular formula
- C8H12N2O3
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.08479224
Names & identifiers
- Preferred name
- (2S)-2-((3,5-Dimethyl-1,2-oxazol-4-yl)amino)propanoic acid
- IUPAC
- (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)amino]propanoic acid
Names & synonyms
98166-05-3(2S)-2-((3,5-Dimethyl-1,2-oxazol-4-yl)amino)propanoic acidL-Alanine, N-(3,5-dimethyl-4-isoxazolyl)-DTXSID70913411N-(3,5-Dimethyl-1,2-oxazol-4-yl)alanineN-(3,5-dimethyl-1,2-oxazol-4-yl)-L-alanine
Database identifiers
- CAS
98166-05-3- PubChem CID
- 176705
- DTXSID
DTXSID70913411
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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