ethyl (2S)-pyrrolidine-2-carboxylate hydrochloride

• ChemBase ID: 293592
• Molecular Formular: C7H14ClNO2
• Molecular Mass: 179.64456
• Monoisotopic Mass: 179.07130637
• SMILES: O=C([C@H]1NCCC1)OCC.Cl
• Canonical SMILES: CCOC(=O)[C@@H]1CCCN1.Cl
• InChI: InChI=1S/C7H13NO2.ClH/c1-2-10-7(9)6-4-3-5-8-6;/h6,8H,2-5H2,1H3;1H/t6-;/m0./s1
• InChIKey: DUJGQVVONTYHLT-RGMNGODLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (2S)-pyrrolidine-2-carboxylate hydrochloride
• IUPAC Traditional name: ethyl (2S)-pyrrolidine-2-carboxylate hydrochloride
• Synonyms: (S)-Ethyl pyrrolidine-2-carboxylate hydrochloride

Database IDs

• CAS Number: 33305-75-8
• MDL Number: MFCD00191004
• PubChem SID: 180679123
• PubChem CID: 11679912

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5311197
• LogD (pH = 7.4): 0.07714473
• Log P: 0.4055606
• Molar Refractivity: 37.582 cm^3
• Polarizability: 15.197755 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%