methyl 4-methoxypyrrolidine-2-carboxylate hydrochloride

• ChemBase ID: 273557
• Molecular Formular: C7H14ClNO3
• Molecular Mass: 195.64396
• Monoisotopic Mass: 195.06622099
• SMILES: N1C(C(=O)OC)CC(C1)OC.Cl
• Canonical SMILES: COC1CNC(C1)C(=O)OC.Cl
• InChI: InChI=1S/C7H13NO3.ClH/c1-10-5-3-6(8-4-5)7(9)11-2;/h5-6,8H,3-4H2,1-2H3;1H
• InChIKey: MDQRVWFFHPYBJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-methoxypyrrolidine-2-carboxylate hydrochloride
• IUPAC Traditional name: methyl 4-methoxypyrrolidine-2-carboxylate hydrochloride
• Synonyms: methyl 4-methoxypyrrolidine-2-carboxylate hydrochloride

Database IDs

• MDL Number: MFCD18785509
• PubChem SID: 164329467
• PubChem CID: 20445923

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6784799
• LogD (pH = 7.4): -0.53478104
• Log P: -0.45581847
• Molar Refractivity: 38.9025 cm^3
• Polarizability: 15.927211 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 58 - 60°C
• Hydrophobicity(logP): -0.28

Product Information

• Purity: 95%