morpholine-3-carboxamide

• ChemBase ID: 246023
• Molecular Formular: C5H10N2O2
• Molecular Mass: 130.1451
• Monoisotopic Mass: 130.07422757
• SMILES: C1(C(=O)N)NCCOC1
• Canonical SMILES: NC(=O)C1COCCN1
• InChI: InChI=1S/C5H10N2O2/c6-5(8)4-3-9-2-1-7-4/h4,7H,1-3H2,(H2,6,8)
• InChIKey: YPSPPJRTCRMQGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: morpholine-3-carboxamide
• IUPAC Traditional name: morpholine-3-carboxamide
• Synonyms: morpholine-3-carboxamide

Database IDs

• MDL Number: MFCD12406987
• PubChem SID: 164301933
• PubChem CID: 19792002

CALCULATED PROPERTIES

• Acid pKa: 15.939889
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.0378764
• LogD (pH = 7.4): -1.674954
• Log P: -1.528382
• Molar Refractivity: 31.42 cm^3
• Polarizability: 12.694801 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 168 - 170°C
• Hydrophobicity(logP): -1.476

Product Information

• Purity: 95%