Basic information
- CAS
52583-41-2- Standard SMILES
NC(C(=O)O)C1CC(Cl)=NO1- InChIKey
QAWIHIJWNYOLBE-UHFFFAOYSA-N- Molecular formula
- C5H7ClN2O3
- Average molar mass
- 178.57 g/mol
- Monoisotopic mass
- 178.0145198
Overview
See also: Acivicin (annotation moved to).
Names & identifiers
- Preferred name
- 5-Isoxazoleacetic acid, alpha-amino-3-chloro-4,5-dihydro-
- IUPAC
- 2-amino-2-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)acetic acid
- English name
- 5-Isoxazoleacetic acid, alpha-amino-3-chloro-4,5-dihydro-
- Molecular formula
- C5H7ClN2O3
- Molecular weight
- 178.57
Names & synonyms
52583-41-25-Isoxazoleacetic acid, alpha-amino-3-chloro-4,5-dihydro-2-amino-2-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)acetic acid2-amino-2-(3-chloro-4,5-dihydroisoxazol-5-yl)acetic acidamino(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)acetic acidAT-125;U-42126MLS000028629SCHEMBL1873697CHEMBL1337040BCBcMAP01_000236DTXSID80860588AKOS006237405
Show more names
5-Isoxazoleacetic acid, α-amino-3-chloro-4,5-dihydro-
SMP1_000002AC-31550SMR000058744DB-070274SR-01000721919SR-01000721919-3Q268410042-azanyl-2-(3-chloranyl-4,5-dihydro-1,2-oxazol-5-yl)ethanoic acid
Database identifiers
- CAS
52583-41-2- PubChem CID
- 2007
- DTXSID
DTXSID80860588- ChEMBL
CHEMBL1337040- Nikkaji
- J379.780E
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 206
Chemistry & industry
Suppliers2 total
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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