Basic information
- CAS
6308-53-8- Standard SMILES
O=C(NC(Cc1ccccc1)C(=O)O)c1ccc2ccccc2n1- InChIKey
XRNFCQYNTUWLRV-UHFFFAOYSA-N- Molecular formula
- C19H16N2O3
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 320.11609238
Names & identifiers
- Preferred name
- 3-Phenyl-2-(quinoline-2-carbonylamino)propanoic acid
- IUPAC
- 3-phenyl-2-(quinoline-2-carbonylamino)propanoic acid
- English name
- 3-phenyl-2-(quinoline-2-carbonylamino)propanoic acid
- Molecular formula
- C19H16N2O3
- Molecular weight
- 320.34
Names & synonyms
6308-53-83-Phenyl-2-(quinoline-2-carboxamido)propanoic acid3-phenyl-2-[(quinolin-2-yl)formamido]propanoic acid3-phenyl-2-(quinoline-2-carbonylamino)propanoic acidNSC42084DTXSID30285505NSC-42084N-(Quinoline-2-carbonyl)phenylalanineL-Phenylalanine, N-(2-quinolinylcarbonyl)-
Database identifiers
- CAS
6308-53-8- PubChem CID
- 237983
- DTXSID
DTXSID30285505- Nikkaji
- J899.039E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Boiling point
- 625.958 · 625.958±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.303 · 1.303±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.157 · 3.157±0.10(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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