hexahydro-2H-furo[3,2-b]pyrrole-5-carboxylic acid

• ChemBase ID: 242654
• Molecular Formular: C7H11NO3
• Molecular Mass: 157.16714
• Monoisotopic Mass: 157.07389322
• SMILES: N1C(CC2C1CCO2)C(=O)O
• Canonical SMILES: OC(=O)C1NC2C(C1)OCC2
• InChI: InChI=1S/C7H11NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h4-6,8H,1-3H2,(H,9,10)
• InChIKey: MKSLXHNNHFTOEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexahydro-2H-furo[3,2-b]pyrrole-5-carboxylic acid
• IUPAC Traditional name: hexahydro-2H-furo[3,2-b]pyrrole-5-carboxylic acid
• Synonyms: hexahydro-2H-furo[3,2-b]pyrrole-5-carboxylic acid

Database IDs

• MDL Number: MFCD22578503
• PubChem SID: 164298564
• PubChem CID: 71757062

CALCULATED PROPERTIES

• Acid pKa: 1.6660081
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.1250143
• LogD (pH = 7.4): -3.1252353
• Log P: -3.1249857
• Molar Refractivity: 36.7 cm^3
• Polarizability: 14.981008 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.084

Product Information

• Purity: 95%