methyl 2-amino-2-(2-methoxyphenyl)acetate

• ChemBase ID: 116830
• Molecular Formular: C10H13NO3
• Molecular Mass: 195.21512
• Monoisotopic Mass: 195.08954328
• SMILES: c1(C(C(=O)OC)N)c(OC)cccc1
• Canonical SMILES: COC(=O)C(c1ccccc1OC)N
• InChI: InChI=1S/C10H13NO3/c1-13-8-6-4-3-5-7(8)9(11)10(12)14-2/h3-6,9H,11H2,1-2H3
• InChIKey: FXXDFLDNKVTKOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-2-(2-methoxyphenyl)acetate
• IUPAC Traditional name: methyl 2-amino-2-(2-methoxyphenyl)acetate
• Synonyms: methyl amino(2-methoxyphenyl)acetate hydrochloride

Database IDs

• MDL Number: MFCD06797220
• PubChem SID: 162101874
• PubChem CID: 3977101

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7131496E-4
• LogD (pH = 7.4): 0.75059026
• Log P: 0.7771766
• Molar Refractivity: 51.5936 cm^3
• Polarizability: 20.662416 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.006

Product Information

• Purity: 95+%
• Salt Data: HCl