2-(Quinoline-3-carbonylamino)propanoic acid
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Basic information
- CAS
860206-05-9- Standard SMILES
CC(NC(=O)c1cnc2ccccc2c1)C(=O)O- InChIKey
RAMCKUKTUGNMKD-UHFFFAOYSA-N- Molecular formula
- C13H12N2O3
- Average molar mass
- 244.25 g/mol
- Monoisotopic mass
- 244.08479225
Names & identifiers
- Preferred name
- 2-(Quinoline-3-carbonylamino)propanoic acid
- IUPAC
- 2-(quinoline-3-carbonylamino)propanoic acid
- English name
- 3-Quinolinecarboxamide, N-(1-carboxyethyl)- (5CI)
- Molecular formula
- C13H12N2O3
- Molecular weight
- 244.25
Names & synonyms
3-Quinolinecarboxamide, N-(1-carboxyethyl)- (5CI)
Database identifiers
- CAS
860206-05-9- PubChem CID
- 110489476
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Melting point
- 231.5 · 231.5-233 °C (decomp)
- Boiling point
- 561.1 · 561.1±30.0 °C(Predicted)
- Density
- 1.319 · 1.319±0.06 g/cm3(Predicted)
- pka
- 3.15 · 3.15±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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