methyl 2-(1-aminocyclopropyl)acetate hydrochloride

• ChemBase ID: 244914
• Molecular Formular: C6H12ClNO2
• Molecular Mass: 165.61798
• Monoisotopic Mass: 165.05565631
• SMILES: C1(CC(=O)OC)(CC1)N.Cl
• Canonical SMILES: COC(=O)CC1(N)CC1.Cl
• InChI: InChI=1S/C6H11NO2.ClH/c1-9-5(8)4-6(7)2-3-6;/h2-4,7H2,1H3;1H
• InChIKey: PMJSYRNIYIVBCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(1-aminocyclopropyl)acetate hydrochloride
• IUPAC Traditional name: methyl 2-(1-aminocyclopropyl)acetate hydrochloride
• Synonyms: methyl 2-(1-aminocyclopropyl)acetate hydrochloride

Database IDs

• MDL Number: MFCD22741276
• PubChem SID: 164300824
• PubChem CID: 57350660

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.350491
• LogD (pH = 7.4): -2.3218446
• Log P: -0.37523553
• Molar Refractivity: 32.5727 cm^3
• Polarizability: 13.364334 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.055

Product Information

• Purity: 95%