Basic information
- CAS
117969-50-3- Standard SMILES
N[C@H](CCC(=O)OC1CCCCC1)C(=O)O- InChIKey
JSYMWKYNCWQUOY-SECBINFHSA-N- Molecular formula
- C11H19NO4
- Average molar mass
- 229.27 g/mol
Names & identifiers
- Preferred name
- (2R)-2-Amino-5-cyclohexyloxy-5-oxopentanoic acid
- IUPAC
- (2R)-2-amino-5-cyclohexyloxy-5-oxopentanoic acid
- English name
- H-Glu(ochex)-OH
- Molecular formula
- C11H19NO4
- Molecular weight
- 229.27
Names & synonyms
117969-50-3(2R)-2-Amino-5-cyclohexyloxy-5-oxopentanoic acidH-GLU(OCHX)-OHH-L-GLU(OCHX)-OHL-GLUTAMIC ACID-Y-CYCLOHEXYLESTERL-GLUTAMIC ACID GAMMA-CYCLOHEXYL ESTER
Database identifiers
- CAS
117969-50-3- PubChem CID
- 92979271
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Boiling point
- 400.886 · 400.886±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.178 · 1.178±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.203 · 2.203±0.10(predicted)
Chemistry & industry
Suppliers1 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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