(1R)-1-amino-2,3-dihydro-1H-indene-1-carboxylic acid

• ChemBase ID: 809272
• Molecular Formular: C10H11NO2
• Molecular Mass: 177.19984
• Monoisotopic Mass: 177.0789786
• SMILES: [C@]1(CCc2ccccc12)(C(=O)O)N
• Canonical SMILES: OC(=O)[C@@]1(N)CCc2c1cccc2
• InChI: InChI=1S/C10H11NO2/c11-10(9(12)13)6-5-7-3-1-2-4-8(7)10/h1-4H,5-6,11H2,(H,12,13)/t10-/m1/s1
• InChIKey: HTTPGMNPPMMMOP-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-amino-2,3-dihydro-1H-indene-1-carboxylic acid
• IUPAC Traditional name: (1R)-1-amino-2,3-dihydroindene-1-carboxylic acid
• Synonyms: (R)-1-AMINO-INDAN-1-CARBOXYLIC ACID

CALCULATED PROPERTIES

• Acid pKa: 2.1240067
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.9126689
• LogD (pH = 7.4): -0.920614
• Log P: -0.9127906
• Molar Refractivity: 48.2366 cm^3
• Polarizability: 18.99448 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%