1-amino-3-hydroxycyclobutane-1-carboxylic acid

• ChemBase ID: 799042
• Molecular Formular: C5H9NO3
• Molecular Mass: 131.12986
• Monoisotopic Mass: 131.05824315
• SMILES: C1(CC(C1)O)(C(=O)O)N
• Canonical SMILES: OC1CC(C1)(N)C(=O)O
• InChI: InChI=1S/C5H9NO3/c6-5(4(8)9)1-3(7)2-5/h3,7H,1-2,6H2,(H,8,9)
• InChIKey: OEQBVNDAVKXWBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-3-hydroxycyclobutane-1-carboxylic acid
• IUPAC Traditional name: 1-amino-3-hydroxycyclobutane-1-carboxylic acid
• Synonyms: 1-amino-3-hydroxycyclobutanecarboxylic acid

CALCULATED PROPERTIES

• Acid pKa: 2.0417697
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.8037279
• LogD (pH = 7.4): -3.8109667
• Log P: -3.8038468
• Molar Refractivity: 29.4377 cm^3
• Polarizability: 11.9828205 Å^3
• Polar Surface Area: 83.55 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%