Basic information
- CAS
797768-12-8- Standard SMILES
CC(C)Oc1ccc(CCC(=O)NNC(=O)CCC(=O)O)cc1- InChIKey
HZOCSGWLFWLGBX-UHFFFAOYSA-N- Molecular formula
- C16H22N2O5
- Average molar mass
- 322.36 g/mol
- Monoisotopic mass
- 322.15287181
Names & identifiers
- Preferred name
- 4-Oxo-4-[2-[3-(4-propan-2-yloxyphenyl)propanoyl]hydrazinyl]butanoic acid
- IUPAC
- 4-oxo-4-[2-[3-(4-propan-2-yloxyphenyl)propanoyl]hydrazinyl]butanoic acid
Names & synonyms
4-oxo-4-[2-[3-(4-propan-2-yloxyphenyl)propanoyl]hydrazinyl]butanoic acid797768-12-8MLS000807047CHEMBL1301267DTXSID101321195HMS2769K19STK968539AKOS022088287SMR0004148614-(2-(3-(4-isopropoxyphenyl)propanoyl)hydrazinyl)-4-oxobutanoic acid4-{N'-[3-(4-Isopropoxy-phenyl)-propionyl]-hydrazino}-4-oxo-butyric acid4-oxo-4-(2-{3-[4-(propan-2-yloxy)phenyl]propanoyl}hydrazinyl)butanoic acid
Show more names
4-Oxo-4-[2-(3-{4-[(propan-2-yl)oxy]phenyl}propanoyl)hydrazinyl]butanoic acid
Database identifiers
- CAS
797768-12-8- PubChem CID
- 1981925
- DTXSID
DTXSID101321195- ChEMBL
CHEMBL1301267
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 403
Experimental & physicochemical properties
Solubility37.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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