methyl 2-[(1-phenylpropyl)amino]acetate

• ChemBase ID: 240775
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: N(CC(=O)OC)C(c1ccccc1)CC
• Canonical SMILES: CCC(c1ccccc1)NCC(=O)OC
• InChI: InChI=1S/C12H17NO2/c1-3-11(13-9-12(14)15-2)10-7-5-4-6-8-10/h4-8,11,13H,3,9H2,1-2H3
• InChIKey: GGEBRSXPLRWCKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[(1-phenylpropyl)amino]acetate
• IUPAC Traditional name: methyl 2-[(1-phenylpropyl)amino]acetate
• Synonyms: methyl 2-[(1-phenylpropyl)amino]acetate

Database IDs

• MDL Number: MFCD11140549
• PubChem SID: 164296685
• PubChem CID: 43190780

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.35681
• LogD (pH = 7.4): 2.070749
• Log P: 2.0945694
• Molar Refractivity: 59.1025 cm^3
• Polarizability: 23.66617 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.312

Product Information

• Purity: 95%