2-amino-5-methylcyclopentane-1-carboxylic acid

• ChemBase ID: 286521
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: C1(C(=O)O)C(CCC1C)N
• Canonical SMILES: OC(=O)C1C(C)CCC1N
• InChI: InChI=1S/C7H13NO2/c1-4-2-3-5(8)6(4)7(9)10/h4-6H,2-3,8H2,1H3,(H,9,10)
• InChIKey: BOROYIIFTARKLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-methylcyclopentane-1-carboxylic acid
• IUPAC Traditional name: 2-amino-5-methylcyclopentane-1-carboxylic acid
• Synonyms: 2-amino-5-methylcyclopentane-1-carboxylic acid

Database IDs

• MDL Number: MFCD21602823
• PubChem SID: 180672052
• PubChem CID: 73994879

CALCULATED PROPERTIES

• Acid pKa: 4.146207
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.8831809
• LogD (pH = 7.4): -1.868085
• Log P: -1.8682234
• Molar Refractivity: 36.9665 cm^3
• Polarizability: 14.9515705 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.781

Product Information

• Purity: 95%