N-(Pyridine-3-carbonyl)-L-proline
Basic information
- CAS
59834-37-6- Standard SMILES
O=C(O)[C@@H]1CCCN1C(=O)c1cccnc1- InChIKey
VHACSPGAMLSZBK-VIFPVBQESA-N- Molecular formula
- C11H12N2O3
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.08479225
Names & identifiers
- Preferred name
- N-(Pyridine-3-carbonyl)-L-proline
- IUPAC
- (2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
- English name
- N-(Pyridine-3-carbonyl)-L-proline
- Molecular formula
- C11H12N2O3
- Molecular weight
- 220.22
Names & synonyms
N-(Pyridine-3-carbonyl)-L-proline59834-37-6DTXSID30353970RefChem:362905DTXCID10305033Nicotinoyl-L-proline(S)-1-Nicotinoylpyrrolidine-2-carboxylic acid(2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid1-(3-PYRIDINYLCARBONYL)PROLINE1101194-26-6SCHEMBL48932231-(pyridine-3-carbonyl)proline
Show more names
L-Proline, 1-(3-pyridinylcarbonyl)-
1-(Pyridine-3-carbonyl)-L-prolineAKOS010372683AKOS015854391CS-0339390
Database identifiers
- CAS
59834-37-6- PubChem CID
- 759907
- DTXSID
DTXSID30353970- Nikkaji
- J673.314J
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Melting point
- 169 · 169-171 °C
- Boiling point
- 458.7 · 458.7±35.0 °C(Predicted)
- Density
- 1.357 · 1.357±0.06 g/cm3(Predicted)
- pka
- 3.16 · 3.16±0.20(Predicted)
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Related reactions
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Compound notes
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