4-hydroxy-1-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine-4-carboxylic acid

• ChemBase ID: 364407
• Molecular Formular: C15H17N3O4
• Molecular Mass: 303.31318
• Monoisotopic Mass: 303.12190604
• SMILES: c1(nc2n(c1)cccc2C)C(=O)N1CCC(C(=O)O)(CC1)O
• Canonical SMILES: OC(=O)C1(O)CCN(CC1)C(=O)c1cn2c(n1)c(C)ccc2
• InChI: InChI=1S/C15H17N3O4/c1-10-3-2-6-18-9-11(16-12(10)18)13(19)17-7-4-15(22,5-8-17)14(20)21/h2-3,6,9,22H,4-5,7-8H2,1H3,(H,20,21)
• InChIKey: OEBMMAXZWHQXHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxy-1-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine-4-carboxylic acid
• IUPAC Traditional name: 4-hydroxy-1-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine-4-carboxylic acid
• Synonyms: 4-hydroxy-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]piperidine-4-carboxylic acid

CALCULATED PROPERTIES

JChem

• Acid pKa: 2.9710736
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.1465719
• LogD (pH = 7.4): -3.4284573
• Log P: -1.0414907
• Molar Refractivity: 79.3261 cm^3
• Polarizability: 29.44481 Å^3
• Polar Surface Area: 95.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.77
• LOG S: -2.06
• Polar Surface Area: 95.14 Å^2
• Rotatable Bonds: 2