methyl (1S,2S)-2-aminocyclopentane-1-carboxylate

• ChemBase ID: 799685
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: [C@H]1([C@H](CCC1)N)C(=O)OC
• Canonical SMILES: COC(=O)[C@H]1CCC[C@@H]1N
• InChI: InChI=1S/C7H13NO2/c1-10-7(9)5-3-2-4-6(5)8/h5-6H,2-4,8H2,1H3/t5-,6-/m0/s1
• InChIKey: RGXCCQQWSIEIEF-WDSKDSINSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (1S,2S)-2-aminocyclopentane-1-carboxylate
• IUPAC Traditional name: methyl (1S,2S)-2-aminocyclopentane-1-carboxylate
• Synonyms: (1R,2S)-methyl 2-aminocyclopentanecarboxylate

Database IDs

• CAS Number: 154460-33-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7410045
• LogD (pH = 7.4): -1.861342
• Log P: 0.25378904
• Molar Refractivity: 37.187 cm^3
• Polarizability: 15.197755 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%