2-amino-2-cyclopropylacetic acid hydrochloride

• ChemBase ID: 52740
• Molecular Formular: C5H10ClNO2
• Molecular Mass: 151.5914
• Monoisotopic Mass: 151.04000625
• SMILES: C1(C(N)C(=O)O)CC1.Cl
• Canonical SMILES: NC(C(=O)O)C1CC1.Cl
• InChI: InChI=1S/C5H9NO2.ClH/c6-4(5(7)8)3-1-2-3;/h3-4H,1-2,6H2,(H,7,8);1H
• InChIKey: XINWYOAHPNHZJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-cyclopropylacetic acid hydrochloride
• IUPAC Traditional name: amino(cyclopropyl)acetic acid hydrochloride
• Synonyms: 2-Amino-2-cyclopropylacetic acid hydrochloride

Database IDs

• MDL Number: MFCD09878802
• PubChem SID: 162057503
• PubChem CID: 46863898

CALCULATED PROPERTIES

• Acid pKa: 2.3996596
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.417369
• LogD (pH = 7.4): -2.4197395
• Log P: -2.4172468
• Molar Refractivity: 27.6907 cm^3
• Polarizability: 11.294152 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219 - 221°C
• Hydrophobicity(logP): -2.54

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%