Synonyms
D-Pyrrolidine-2-carboxylic acid
IUPAC Name
(2R)-Pyrrolidine-2-carboxylic acid
Molecular Weight
115.13
Molecular Formula
C5H9NO2
Canonical SMILES
C1CC(NC1)C(=O)O
InChI
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1
InChI Key
ONIBWKKTOPOVIA-SCSAIBSYSA-N
Boiling Point
215.41 °C
Melting Point
223 °C(lit.)
Flash Point
106.3 °C
Purity
99%
Density
1.36 g/cm³
Solubility
Solubility in 100 mL of water: 127 g at 0 deg C; 162 g at 25 deg C; 206.7 g at 50 deg C; 239 g at 65 deg C;Solubility in alcohol: 1.55% at 35 deg C; insoluble in ether, butanol, isopropanol;Very soluble in water, alcohol; insoluble in ether;Very soluble in water; slightly soluble in ethanol, acetone, benzene; insoluble in ether, propanol;
Appearance
Solid
Storage
Inert atmosphere, room temperature
Color Form
Flat needles from alcohol + ether; prisms from water;White crystals or crystalline powder;
Complexity
103
Covalently-Bonded Unit Count
1
Decomposition
When heated to decomposition it emits toxic vapors of /nitrogen oxides/.;
Defined Atom Stereocenter Count
1
EC Number
206-452-7
Exact Mass
115.063328530
H-Bond Acceptor
3
H-Bond Donor
2
Heavy Atom Count
8
Isomeric SMILES
C1C[C@@H](NC1)C(=O)O
Monoisotopic Mass
115.063328530
Odor
Odorless;
Other Experimental
Isoelectric point: 6.30;Colorless crystals. Soluble in water and alcohol; insoluble in ether; optically active. /Proline/;MP: 215-220 deg C with decomposition /D(+)-Proline/;MASS: 76286 (NIST/EPA/MSDC Mass Spectral Database, 1990 version); 4037 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63) /D-Proline/;MASS: 4037 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63) /DL-Proline/;MP: 205 deg C with decomposition /DL-Proline/;Monohydrate, crystals. MP 190 deg C (when anhydrous, decomposes at 205 deg C). Soluble in water, alcohol; sparingly soluble in acetone, chloroform, benzene; insoluble in ether /DL-Proline/;Henry's Law constant = 1.92X10-9 atm-cu m/mol at 25 deg C (est);Hydroxyl radical reaction rate constant = 8.28X10-11 cu cm/molec-sec at 25 deg C (est);
Refractive Index
85 ° (C=4, H₂O)
Rotatable Bond Count
1
Stability
Stable under recommended storage conditions.;
Topological Polar Surface Area
49.3 Ų
Undefined Atom Stereocenter Count
1
Vapor Pressure
3.02X10-8 mm Hg at 25 deg C (est);
