4-Amino-5-carboxymethylisoxazolid-3-one
Basic information
- CAS
2644-50-0- Standard SMILES
N[C@H]1C(=O)NO[C@H]1CC(=O)O- InChIKey
JFHNXMMEPVYAIC-ZAFYKAAXSA-N- Molecular formula
- C5H8N2O4
- Average molar mass
- 160.13 g/mol
- Monoisotopic mass
- 160.04840674
Overview
structure
Names & identifiers
- Preferred name
- 4-Amino-5-carboxymethylisoxazolid-3-one
- IUPAC
- 2-[(4R,5S)-4-amino-3-oxo-1,2-oxazolidin-5-yl]acetic acid
- English name
- 4-amino-5-carboxymethylisoxazolid-3-one
- Molecular formula
- C5H8N2O4
- Molecular weight
- 160.13
Names & synonyms
2644-50-04-Amino-5-carboxymethylisoxazolid-3-onethreo-alpha-Cycloglutamic acidDTXSID301810385-Isoxazolidineacetic acid, 4-amino-3-oxo-, cis-RefChem:97787DTXCID401035292-(Cis-4-amino-3-oxoisoxazolidin-5-yl)acetic acid[(4r,5s)-4-amino-3-oxo-1,2-oxazolidin-5-yl]acetic acid5-Isoxazolidineacetic acid, 4-amino-3-oxo-, (4R,5S)-rel-
Database identifiers
- CAS
2644-50-0- PubChem CID
- 193353
- DTXSID
DTXSID30181038
Properties
Computed structural properties
- XLogP
- -4.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Density
- 1.429 · 1.429±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.134 · 4.134±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…