2-[(2R)-pyrrolidin-2-yl]acetic acid hydrochloride

• ChemBase ID: 294879
• Molecular Formular: C6H12ClNO2
• Molecular Mass: 165.61798
• Monoisotopic Mass: 165.05565631
• SMILES: O=C(O)C[C@@H]1NCCC1.Cl
• Canonical SMILES: OC(=O)C[C@H]1CCCN1.Cl
• InChI: InChI=1S/C6H11NO2.ClH/c8-6(9)4-5-2-1-3-7-5;/h5,7H,1-4H2,(H,8,9);1H/t5-;/m1./s1
• InChIKey: VQDACVOAOJQTPR-NUBCRITNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2R)-pyrrolidin-2-yl]acetic acid hydrochloride
• IUPAC Traditional name: (2R)-pyrrolidin-2-ylacetic acid hydrochloride
• Synonyms: (R)-2-(Pyrrolidin-2-yl)acetic acid hydrochloride; (S)-2-(2-Pyrrolidinyl)acetic acid hydrochloride; D-beta-Homoproline hydrochloride; D-β-同脯氨酸盐酸盐

Database IDs

• CAS Number: 439918-59-9
• MDL Number: MFCD06202401
• PubChem SID: 180680410
• PubChem CID: 45026933

CALCULATED PROPERTIES

• Acid pKa: 3.8372939
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.4915314
• LogD (pH = 7.4): -2.483942
• Log P: -2.4840326
• Molar Refractivity: 32.6886 cm^3
• Polarizability: 13.120767 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%; 95+%