5-(morpholin-4-yl)pentanoic acid

• ChemBase ID: 267847
• Molecular Formular: C9H17NO3
• Molecular Mass: 187.23618
• Monoisotopic Mass: 187.12084341
• SMILES: N1(CCCCC(=O)O)CCOCC1
• Canonical SMILES: OC(=O)CCCCN1CCOCC1
• InChI: InChI=1S/C9H17NO3/c11-9(12)3-1-2-4-10-5-7-13-8-6-10/h1-8H2,(H,11,12)
• InChIKey: BSVYXFWQDRWOFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(morpholin-4-yl)pentanoic acid
• IUPAC Traditional name: 5-(morpholin-4-yl)pentanoic acid
• Synonyms: 5-(morpholin-4-yl)pentanoic acid

Database IDs

• MDL Number: MFCD11193133
• PubChem SID: 164323757
• PubChem CID: 13137164

CALCULATED PROPERTIES

• Acid pKa: 4.292333
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.1708636
• LogD (pH = 7.4): -2.3695865
• Log P: -2.163844
• Molar Refractivity: 49.2026 cm^3
• Polarizability: 19.342733 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 101°C
• Hydrophobicity(logP): -1.933

Product Information

• Purity: 95%