4-hydroxypiperidine-4-carboxylic acid

• ChemBase ID: 310534
• Molecular Formular: C6H11NO3
• Molecular Mass: 145.15644
• Monoisotopic Mass: 145.07389322
• SMILES: C(=O)(C1(CCNCC1)O)O
• Canonical SMILES: OC(=O)C1(O)CCNCC1
• InChI: InChI=1S/C6H11NO3/c8-5(9)6(10)1-3-7-4-2-6/h7,10H,1-4H2,(H,8,9)
• InChIKey: FKKPSFIMIQSISK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxypiperidine-4-carboxylic acid
• IUPAC Traditional name: 4-hydroxypiperidine-4-carboxylic acid
• Synonyms: 4-hydroxy-4-piperidinecarboxylic acid

Database IDs

• CAS Number: 50289-06-0
• MDL Number: MFCD00956083

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.6443655
• LogD (pH = 7.4): -3.6417656
• Log P: -3.6408682
• Molar Refractivity: 34.5421 cm^3
• Polarizability: 13.797867 Å^3
• Polar Surface Area: 69.56 Å^2