Basic information
- CAS
736104-00-0- Standard SMILES
Cc1o[nH]c(=O)c1C(N)CC(=O)O- InChIKey
VYDDCJKXVNKSGD-UHFFFAOYSA-N- Molecular formula
- C7H10N2O4
- Average molar mass
- 186.17 g/mol
- Monoisotopic mass
- 186.0640568
Names & identifiers
- Preferred name
- beta-Amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propionic acid
- IUPAC
- 3-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid
Names & synonyms
SCHEMBL84168DTXSID701017724beta-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propionic acid736104-00-03-Amino-3-(5-methyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)propanoic acid
Database identifiers
- CAS
736104-00-0- PubChem CID
- 2735344
- DTXSID
DTXSID701017724
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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