ethyl 2-[(cyclopropylmethyl)amino]acetate

• ChemBase ID: 264645
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C1CC1CNCC(=O)OCC
• Canonical SMILES: CCOC(=O)CNCC1CC1
• InChI: InChI=1S/C8H15NO2/c1-2-11-8(10)6-9-5-7-3-4-7/h7,9H,2-6H2,1H3
• InChIKey: BFFAICONXNLADT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[(cyclopropylmethyl)amino]acetate
• IUPAC Traditional name: ethyl 2-[(cyclopropylmethyl)amino]acetate
• Synonyms: ethyl 2-[(cyclopropylmethyl)amino]acetate

Database IDs

• MDL Number: MFCD11150512
• PubChem SID: 164320555
• PubChem CID: 22175907

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.68162626
• LogD (pH = 7.4): 0.48441085
• Log P: 0.5683841
• Molar Refractivity: 42.2377 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.095

Product Information

• Purity: 95%