(2S)-morpholine-2-carboxylic acid hydrochloride

• ChemBase ID: 294582
• Molecular Formular: C5H10ClNO3
• Molecular Mass: 167.5908
• Monoisotopic Mass: 167.03492087
• SMILES: O=C([C@@H]1CNCCO1)O.Cl
• Canonical SMILES: OC(=O)[C@@H]1CNCCO1.Cl
• InChI: InChI=1S/C5H9NO3.ClH/c7-5(8)4-3-6-1-2-9-4;/h4,6H,1-3H2,(H,7,8);1H/t4-;/m0./s1
• InChIKey: XLKJUXXMBJDEBH-WCCKRBBISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-morpholine-2-carboxylic acid hydrochloride
• IUPAC Traditional name: (2S)-morpholine-2-carboxylic acid hydrochloride
• Synonyms: (S)-Morpholine-2-carboxylic acid hydrochloride

Database IDs

• CAS Number: 1439373-55-3
• PubChem SID: 180680113
• PubChem CID: 56845341

CALCULATED PROPERTIES

• Acid pKa: 2.9486997
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.1925945
• LogD (pH = 7.4): -3.2301977
• Log P: -3.1930237
• Molar Refractivity: 29.5978 cm^3
• Polarizability: 12.049111 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%