2-amino-2-cyclopropylpropanoic acid

• ChemBase ID: 71817
• Molecular Formular: C6H11NO2
• Molecular Mass: 129.15704
• Monoisotopic Mass: 129.0789786
• SMILES: C1C(C1)C(N)(C)C(=O)O
• Canonical SMILES: OC(=O)C(C1CC1)(N)C
• InChI: InChI=1S/C6H11NO2/c1-6(7,5(8)9)4-2-3-4/h4H,2-3,7H2,1H3,(H,8,9)
• InChIKey: VRFYYCFVOBCXDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-cyclopropylpropanoic acid
• IUPAC Traditional name: 2-amino-2-cyclopropylpropanoic acid
• Synonyms: 2-Cyclopropylalanine

Database IDs

• CAS Number: 5687-72-9
• MDL Number: MFCD00039430; MFCD02233180
• PubChem SID: 162037184
• PubChem CID: 236508

CALCULATED PROPERTIES

• Acid pKa: 2.4768152
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.9848031
• LogD (pH = 7.4): -1.9859854
• Log P: -1.9846114
• Molar Refractivity: 32.404 cm^3
• Polarizability: 13.120767 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT