cyclopentyl 3-amino-4-methoxybenzoate hydrochloride

• ChemBase ID: 123919
• Molecular Formular: C13H18ClNO3
• Molecular Mass: 271.73992
• Monoisotopic Mass: 271.09752112
• SMILES: C(=O)(c1cc(c(cc1)OC)N)OC1CCCC1.Cl
• Canonical SMILES: COc1ccc(cc1N)C(=O)OC1CCCC1.Cl
• InChI: InChI=1S/C13H17NO3.ClH/c1-16-12-7-6-9(8-11(12)14)13(15)17-10-4-2-3-5-10;/h6-8,10H,2-5,14H2,1H3;1H
• InChIKey: IPHFJLMHTNNXPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentyl 3-amino-4-methoxybenzoate hydrochloride
• IUPAC Traditional name: cyclopentyl 3-amino-4-methoxybenzoate hydrochloride
• Synonyms: cyclopentyl 3-amino-4-methoxybenzoate hydrochloride

Database IDs

• PubChem SID: 162218272
• PubChem CID: 51051925

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3436286
• LogD (pH = 7.4): 2.3448124
• Log P: 2.3448274
• Molar Refractivity: 65.6601 cm^3
• Polarizability: 25.050926 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl