(2R)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid

• ChemBase ID: 804687
• Molecular Formular: C7H12N2O3
• Molecular Mass: 172.18178
• Monoisotopic Mass: 172.08479225
• SMILES: N1([C@H](CCC1)C(=O)O)C(=O)CN
• Canonical SMILES: NCC(=O)N1CCC[C@@H]1C(=O)O
• InChI: InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)/t5-/m1/s1
• InChIKey: KZNQNBZMBZJQJO-RXMQYKEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid
• IUPAC Traditional name: (2R)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid
• Synonyms: (R)-1-(2-AMINOACETYL)PYRROLIDINE-2-CARBOXYLIC ACID

Database IDs

• CAS Number: 71884-56-5

CALCULATED PROPERTIES

• Acid pKa: 3.6122622
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.677112
• LogD (pH = 7.4): -3.741057
• Log P: -3.6760077
• Molar Refractivity: 40.9899 cm^3
• Polarizability: 16.247286 Å^3
• Polar Surface Area: 83.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%