(2R)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid hydrochloride

• ChemBase ID: 297999
• Molecular Formular: C8H12ClNO2
• Molecular Mass: 189.63938
• Monoisotopic Mass: 189.05565631
• SMILES: C#CC[C@]1(CCCN1)C(=O)O.Cl
• Canonical SMILES: C#CC[C@]1(CCCN1)C(=O)O.Cl
• InChI: InChI=1S/C8H11NO2.ClH/c1-2-4-8(7(10)11)5-3-6-9-8;/h1,9H,3-6H2,(H,10,11);1H/t8-;/m0./s1
• InChIKey: HUPSJXIFWSWGFS-QRPNPIFTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid hydrochloride
• IUPAC Traditional name: (2R)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid hydrochloride
• Synonyms: (R)-2-(2-Propynyl)pyrrolidine-2-carboxylic acid hydrochloride; 2-(2-Propynyl)-L-proline hydrochloride; (R)-2-(2-丙炔基)-DL-脯氨酸盐酸盐

Database IDs

• MDL Number: MFCD06659239
• PubChem SID: 180683530
• PubChem CID: 2761959

CALCULATED PROPERTIES

• Acid pKa: 1.7919003
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.9759823
• LogD (pH = 7.4): -1.9760015
• Log P: -1.9759365
• Molar Refractivity: 40.3642 cm^3
• Polarizability: 15.697938 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%