2-(1-aminocyclopropyl)acetic acid hydrochloride

• ChemBase ID: 246418
• Molecular Formular: C5H10ClNO2
• Molecular Mass: 151.5914
• Monoisotopic Mass: 151.04000625
• SMILES: C1(CC(=O)O)(CC1)N.Cl
• Canonical SMILES: OC(=O)CC1(N)CC1.Cl
• InChI: InChI=1S/C5H9NO2.ClH/c6-5(1-2-5)3-4(7)8;/h1-3,6H2,(H,7,8);1H
• InChIKey: YZIULPNDAVQCIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-aminocyclopropyl)acetic acid hydrochloride
• IUPAC Traditional name: (1-aminocyclopropyl)acetic acid hydrochloride
• Synonyms: 2-(1-aminocyclopropyl)acetic acid hydrochloride

Database IDs

• MDL Number: MFCD23135867
• PubChem SID: 164302328
• PubChem CID: 57347136

CALCULATED PROPERTIES

• Acid pKa: 3.995319
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.7947345
• LogD (pH = 7.4): -2.7842083
• Log P: -2.7841718
• Molar Refractivity: 27.8036 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

• Hydrophobicity(logP): -2.799

Product Information

• Purity: 95%