(S)-Pyrrolidine-3-carboxylic acid
Properties
- Molecular formula
- C5H9NO2
- Molar mass
- 115.13 g/mol
- Exact mass
- 115.0633 Da
- logP
- -0.32Crippen estimate
- Polar surface area
- 49.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 1
- Stereocentres
- Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
72580-53-1SMILES
C1CNC[C@H]1C(=O)OInChIKey
JAEIBKXSIXOLOL-BYPYZUCNSA-NInChI
InChI=1S/C5H9NO2/c7-5(8)4-1-2-6-3-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Work with (S)-Pyrrolidine-3-carboxylic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
(-)-Nipecotic acid25137-00-277 % similar
Nipecotic acid498-95-377 % similar
(S)-(+)-Nipecotic acid59045-82-877 % similar
Nipecotic acid60252-41-777 % similar
Isonipecotic acid498-94-275 % similar
3-Azetidinecarboxylic acid36476-78-567 % similar
Isonipecotic acid hydrochloride5984-56-567 % similar
1,4-Cyclohexanedicarboxylic acid1076-97-761 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.