(2S)-2-amino-3-cyclopentylpropanoic acid

• ChemBase ID: 287167
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: O=C(O)[C@@H](N)CC1CCCC1
• Canonical SMILES: N[C@H](C(=O)O)CC1CCCC1
• InChI: InChI=1S/C8H15NO2/c9-7(8(10)11)5-6-3-1-2-4-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1
• InChIKey: KDYAKYRBGLKMAK-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-3-cyclopentylpropanoic acid
• IUPAC Traditional name: (2S)-2-amino-3-cyclopentylpropanoic acid
• Synonyms: (S)-2-Amino-3-cyclopentylpropanoic acid

Database IDs

• CAS Number: 99295-82-6
• MDL Number: MFCD01632069
• PubChem SID: 180672698
• PubChem CID: 7000137

CALCULATED PROPERTIES

• Acid pKa: 2.668427
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.161299
• LogD (pH = 7.4): -1.1638508
• Log P: -1.161021
• Molar Refractivity: 41.5707 cm^3
• Polarizability: 16.785397 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%