2-(3-hydroxypiperidin-1-yl)acetic acid

• ChemBase ID: 308108
• Molecular Formular: C7H13NO3
• Molecular Mass: 159.18302
• Monoisotopic Mass: 159.08954328
• SMILES: N1(CC(=O)O)CC(O)CCC1
• Canonical SMILES: OC1CCCN(C1)CC(=O)O
• InChI: InChI=1S/C7H13NO3/c9-6-2-1-3-8(4-6)5-7(10)11/h6,9H,1-5H2,(H,10,11)
• InChIKey: FVWNVXIYNYGOAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-hydroxypiperidin-1-yl)acetic acid
• IUPAC Traditional name: (3-hydroxypiperidin-1-yl)acetic acid
• Synonyms: (3-hydroxy-1-piperidinyl)acetic acid

Database IDs

• CAS Number: 1217862-95-7
• MDL Number: MFCD14649137

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.2860637
• LogD (pH = 7.4): -3.288265
• Log P: -3.2860928
• Molar Refractivity: 39.5762 cm^3
• Polarizability: 15.618866 Å^3
• Polar Surface Area: 60.77 Å^2