methyl 1-aminocyclopentane-1-carboxylate hydrochloride

• ChemBase ID: 71024
• Molecular Formular: C7H14ClNO2
• Molecular Mass: 179.64456
• Monoisotopic Mass: 179.07130637
• SMILES: C1(CCCC1)(C(=O)OC)N.Cl
• Canonical SMILES: COC(=O)C1(N)CCCC1.Cl
• InChI: InChI=1S/C7H13NO2.ClH/c1-10-6(9)7(8)4-2-3-5-7;/h2-5,8H2,1H3;1H
• InChIKey: OPUJUITUYWGUEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-aminocyclopentane-1-carboxylate hydrochloride
• IUPAC Traditional name: methyl 1-aminocyclopentane-1-carboxylate hydrochloride
• Synonyms: Cycloeucine methyl ester hydrochloride; methyl 1-aminocyclopentanecarboxylate hydrochloride

Database IDs

• CAS Number: 60421-23-0
• MDL Number: MFCD03840364
• PubChem SID: 162036730
• PubChem CID: 11513856

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5746436
• LogD (pH = 7.4): 0.095824175
• Log P: 0.58126754
• Molar Refractivity: 37.2255 cm^3
• Polarizability: 15.197755 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 199 - 201°C
• Hydrophobicity(logP): 0.624

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95.0; 95+%; 98%
• Salt Data: HCl