prol
C₅H₉NO₂·115.130 g/mol·CID 6971047
IUPAC: (2S)-pyrrolidin-1-ium-2-carboxylate
Also known as: L-proline zwitterion, 3ip6, CHEBI:60039, (2S)-pyrrolidinium-2-carboxylate
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
115.130g/mol
Exact Mass
115.063329Da
Monoisotopic Mass
115.063329Da
XLogP
-1.9
Polar Surface Area
56.7Ų
Complexity
97
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
2
Rotatable Bonds
0
Heavy Atoms
8
Stereo Centers
1
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 115.1 g/mol
MW ≤ 500
✓ -1.9
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
Isomers8 compounds with formula C₅H₉NO₂
(2S)-pyrrolidine-2-carboxylic acid
CID 145742 · 115.1 g/mol
pyrrolidine-2-carboxylic acid
CID 614 · 115.1 g/mol
(2R)-pyrrolidine-2-carboxylic acid
CID 8988 · 115.1 g/mol
morpholine-4-carbaldehyde
CID 20417 · 115.1 g/mol
1-aminocyclobutane-1-carboxylic acid
CID 89643 · 115.1 g/mol
methyl (Z)-3-aminobut-2-enoate
CID 643918 · 115.1 g/mol
2-aminopent-4-enoic acid
CID 14044 · 115.1 g/mol
N-(hydroxymethyl)-2-methylprop-2-enamide
CID 70208 · 115.1 g/mol