(S)-HexylHIBO
Basic information
- CAS
334887-48-8- Standard SMILES
CCCCCCc1c(C[C@H](N)C(=O)O)o[nH]c1=O- InChIKey
OKJBLHIYOWSQDJ-VIFPVBQESA-N- Molecular formula
- C12H20N2O4
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.14230712
Names & identifiers
- Preferred name
- (S)-HexylHIBO
- IUPAC
- (2S)-2-amino-3-(4-hexyl-3-oxo-1,2-oxazol-5-yl)propanoic acid
- English name
- (S)-HEXYLHIBO
- Molecular formula
- C12H20N2O4
- Molecular weight
- 256.3
Names & synonyms
(S)-HexylHIBO334887-48-8(S)-hexylhomoibotenic acid(2S)-2-amino-3-(4-hexyl-3-oxo-1,2-oxazol-5-yl)propanoic acid(S)-2-Amino-3-(4-hexyl-3-oxo-2,3-dihydroisoxazol-5-yl)propanoic acid(2S)-2-amino-3-(4-hexyl-3-oxo-2,3-dihydro-1,2-oxazol-5-yl)propanoic acidTocris-1750NCGC00025276-01Tocris-1749SCHEMBL660028CHEMBL273291GTPL5448
Show more names
(S)HexylHIBO,(S) HexylHIBO(αS)-α-Amino-4-hexyl-2,3-dihydro-3-oxo-5-isoxazolepropanoicacid(aS)-a-Amino-4-hexyl-2,3-dihydro-3-oxo-5-isoxazolepropanoicacid(AS)-ALPHA-AMINO-4-HEXYL-2,3-DIHYDRO-3-OXO-5-ISOXAZOLEPROPANOIC ACID5-Isoxazolepropanoic acid, α-amino-4-hexyl-2,3-dihydro-3-oxo-, (αS)-(ALPHAS)-ALPHA-AMINO-4-HEXYL-2,3-DIHYDRO-3-OXO-5-ISOXAZOLEPROPANOIC ACID
orb1704107DTXSID00424989AKOS024456761AKOS030530597NCGC00025277-01MS-32718CS-0028094T23299
Database identifiers
- CAS
334887-48-8- PubChem CID
- 6604908
- DTXSID
DTXSID00424989- ChEMBL
CHEMBL273291- Nikkaji
- J1.524.061J
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Melting point
- 212 · 212-220 °C (decomp)
- Density
- 1.176 · 1.176±0.06 g/cm3(Predicted)
- storage temp.
- Store at RT
- solubility
- 20 mM · Soluble to 20 mM in 1eq. NaOH
- form
- Powder
- pka
- 2.26 · 2.26±0.10(Predicted)
Chemistry & industry
Applications
Uses(S)-HexylHIBO is a group I mGluR antagonist.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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