rac-ethyl (2R)-3-aminopyrrolidine-2-carboxylate hydrochloride

• ChemBase ID: 804698
• Molecular Formular: C7H15ClN2O2
• Molecular Mass: 194.6592
• Monoisotopic Mass: 194.08220541
• SMILES: Cl.N1CCC([C@H]1C(=O)OCC)N
• Canonical SMILES: CCOC(=O)[C@H]1NCCC1N.Cl
• InChI: InChI=1S/C7H14N2O2.ClH/c1-2-11-7(10)6-5(8)3-4-9-6;/h5-6,9H,2-4,8H2,1H3;1H/t5?,6-;/m0./s1
• InChIKey: CVKMDIKFUJJTPI-PQAGPIFVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: rac-ethyl (2R)-3-aminopyrrolidine-2-carboxylate hydrochloride
• IUPAC Traditional name: rac-ethyl (2R)-3-aminopyrrolidine-2-carboxylate hydrochloride
• Synonyms: ETHYL 3-AMINO-DL-PROLINATE HCL

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.7349238
• LogD (pH = 7.4): -2.175646
• Log P: -0.8490188
• Molar Refractivity: 40.5574 cm^3
• Polarizability: 16.72713 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%