methyl 2-(ethylamino)acetate

• ChemBase ID: 262455
• Molecular Formular: C5H11NO2
• Molecular Mass: 117.14634
• Monoisotopic Mass: 117.0789786
• SMILES: C(=O)(OC)CNCC
• Canonical SMILES: CCNCC(=O)OC
• InChI: InChI=1S/C5H11NO2/c1-3-6-4-5(7)8-2/h6H,3-4H2,1-2H3
• InChIKey: NYEHYTMDKFXJEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(ethylamino)acetate
• IUPAC Traditional name: methyl 2-(ethylamino)acetate
• Synonyms: methyl 2-(ethylamino)acetate

Database IDs

• MDL Number: MFCD11140644
• PubChem SID: 164318365
• PubChem CID: 12591596

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2802963
• LogD (pH = 7.4): -0.26737922
• Log P: -0.21219315
• Molar Refractivity: 30.2957 cm^3
• Polarizability: 12.24825 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.122

Product Information

• Purity: 95%