(1R,2R,4R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid hydrochloride

• ChemBase ID: 279663
• Molecular Formular: C11H20ClNO2
• Molecular Mass: 233.735
• Monoisotopic Mass: 233.11825657
• SMILES: [C@@]12([C@](C[C@H](C1(C)C)CC2)(C(=O)O)N)C.Cl
• Canonical SMILES: OC(=O)[C@@]1(N)C[C@@H]2C([C@@]1(C)CC2)(C)C.Cl
• InChI: InChI=1S/C11H19NO2.ClH/c1-9(2)7-4-5-10(9,3)11(12,6-7)8(13)14;/h7H,4-6,12H2,1-3H3,(H,13,14);1H/t7?,10-,11+;/m1./s1
• InChIKey: IMNMQPKAUPMTML-VPCSKREWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R,4R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid hydrochloride
• IUPAC Traditional name: (1R,2R,4R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid hydrochloride
• Synonyms: (1R,2R,4R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid hydrochloride

Database IDs

• MDL Number: MFCD08448699
• PubChem SID: 164335573
• PubChem CID: 20850007

CALCULATED PROPERTIES

• Acid pKa: 2.614175
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.6736332
• LogD (pH = 7.4): -0.6758267
• Log P: -0.67338616
• Molar Refractivity: 53.0962 cm^3
• Polarizability: 21.574009 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.383

Product Information

• Purity: 95%
• Salt Data: HCl