(2S)-1-aminopyrrolidine-2-carboxylic acid

• ChemBase ID: 85056
• Molecular Formular: C5H10N2O2
• Molecular Mass: 130.1451
• Monoisotopic Mass: 130.07422757
• SMILES: N1([C@@H](CCC1)C(=O)O)N
• Canonical SMILES: NN1CCC[C@H]1C(=O)O
• InChI: InChI=1S/C5H10N2O2/c6-7-3-1-2-4(7)5(8)9/h4H,1-3,6H2,(H,8,9)/t4-/m0/s1
• InChIKey: OUCUOMVLTQBZCY-BYPYZUCNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-1-aminopyrrolidine-2-carboxylic acid
• IUPAC Traditional name: (2S)-1-aminopyrrolidine-2-carboxylic acid
• Synonyms: N-Amino-D-proline

Database IDs

• MDL Number: MFCD00269900
• PubChem SID: 162072172
• PubChem CID: 97357

CALCULATED PROPERTIES

• Acid pKa: 4.2254643
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.6333618
• LogD (pH = 7.4): -3.6417117
• Log P: -2.6278133
• Molar Refractivity: 32.5484 cm^3
• Polarizability: 12.635251 Å^3
• Polar Surface Area: 66.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155-156°C

Safety Information

• Storage Warning: Irritant