methyl 3-aminooxolane-3-carboxylate hydrochloride

• ChemBase ID: 236658
• Molecular Formular: C6H12ClNO3
• Molecular Mass: 181.61738
• Monoisotopic Mass: 181.05057093
• SMILES: C1(C(=O)OC)(N)CCOC1.Cl
• Canonical SMILES: COC(=O)C1(N)COCC1.Cl
• InChI: InChI=1S/C6H11NO3.ClH/c1-9-5(8)6(7)2-3-10-4-6;/h2-4,7H2,1H3;1H
• InChIKey: OLGMEAHQLUJDEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-aminooxolane-3-carboxylate hydrochloride
• IUPAC Traditional name: methyl 3-aminooxolane-3-carboxylate hydrochloride
• Synonyms: methyl 3-aminooxolane-3-carboxylate hydrochloride

Database IDs

• MDL Number: MFCD22369830
• PubChem SID: 164292568
• PubChem CID: 71755755

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3379366
• LogD (pH = 7.4): -1.0072569
• Log P: -0.872208
• Molar Refractivity: 34.4224 cm^3
• Polarizability: 14.102353 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.899

Product Information

• Purity: 95%