1-(aminomethyl)cyclopropane-1-carboxylic acid

• ChemBase ID: 307667
• Molecular Formular: C5H9NO2
• Molecular Mass: 115.13046
• Monoisotopic Mass: 115.06332853
• SMILES: C1(C(=O)O)(CC1)CN
• Canonical SMILES: NCC1(CC1)C(=O)O
• InChI: InChI=1S/C5H9NO2/c6-3-5(1-2-5)4(7)8/h1-3,6H2,(H,7,8)
• InChIKey: MJQJJFZHAQFTDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(aminomethyl)cyclopropane-1-carboxylic acid
• IUPAC Traditional name: 1-(aminomethyl)cyclopropane-1-carboxylic acid
• Synonyms: 1-(aminomethyl)cyclopropanecarboxylic acid

Database IDs

• CAS Number: 139126-45-7
• MDL Number: MFCD06212872

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.5467014
• LogD (pH = 7.4): -2.5382931
• Log P: -2.5381868
• Molar Refractivity: 27.9761 cm^3
• Polarizability: 11.294152 Å^3
• Polar Surface Area: 63.32 Å^2