2-[cyclopropyl(methyl)amino]acetic acid

• ChemBase ID: 264389
• Molecular Formular: C6H11NO2
• Molecular Mass: 129.15704
• Monoisotopic Mass: 129.0789786
• SMILES: C1(CC1)N(CC(=O)O)C
• Canonical SMILES: CN(C1CC1)CC(=O)O
• InChI: InChI=1S/C6H11NO2/c1-7(4-6(8)9)5-2-3-5/h5H,2-4H2,1H3,(H,8,9)
• InChIKey: UGVCMFJZKJVKMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[cyclopropyl(methyl)amino]acetic acid
• IUPAC Traditional name: [cyclopropyl(methyl)amino]acetic acid
• Synonyms: 2-[cyclopropyl(methyl)amino]acetic acid

Database IDs

• MDL Number: MFCD11624173
• PubChem SID: 164320299
• PubChem CID: 43265135

CALCULATED PROPERTIES

• Acid pKa: 1.7844548
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5958173
• LogD (pH = 7.4): -2.5973904
• Log P: -2.5958154
• Molar Refractivity: 33.2839 cm^3
• Polarizability: 13.120767 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 101 - 103°C
• Hydrophobicity(logP): -1.784

Product Information

• Purity: 95%