4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]butanoic acid

• ChemBase ID: 14226
• Molecular Formular: C14H26N2O3
• Molecular Mass: 270.36784
• Monoisotopic Mass: 270.1943427
• SMILES: C1(CC(NC(C1)(C)C)(C)C)NC(=O)CCCC(=O)O
• Canonical SMILES: O=C(NC1CC(C)(C)NC(C1)(C)C)CCCC(=O)O
• InChI: InChI=1S/C14H26N2O3/c1-13(2)8-10(9-14(3,4)16-13)15-11(17)6-5-7-12(18)19/h10,16H,5-9H2,1-4H3,(H,15,17)(H,18,19)
• InChIKey: LGPSQLNCNGLGFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]butanoic acid
• IUPAC Traditional name: 4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]butanoic acid
• Synonyms: 5-Oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanoic acid

Database IDs

• MDL Number: MFCD00562809
• PubChem SID: 160977533
• PubChem CID: 3133160

CALCULATED PROPERTIES

• Acid pKa: 3.7370558
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.9767478
• LogD (pH = 7.4): -1.9710655
• Log P: -1.9709387
• Molar Refractivity: 73.1273 cm^3
• Polarizability: 29.050169 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false