(2R)-2-amino-5-phenylpentanoic acid

• ChemBase ID: 297969
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: c1ccc(cc1)CCC[C@H](C(=O)O)N
• Canonical SMILES: OC(=O)[C@@H](CCCc1ccccc1)N
• InChI: InChI=1S/C11H15NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H,13,14)/t10-/m1/s1
• InChIKey: XOQZTHUXZWQXOK-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-5-phenylpentanoic acid
• IUPAC Traditional name: (2R)-2-amino-5-phenylpentanoic acid
• Synonyms: (R)-2-Amino-5-phenylpentanoic acid; D-2-AMINO-5-PHENYL-PENTANOIC ACID; (R)-2-氨基-5-苯基戊酸

Database IDs

• CAS Number: 2046-19-7
• MDL Number: MFCD03844654
• PubChem SID: 180683500
• PubChem CID: 6993756

CALCULATED PROPERTIES

• Acid pKa: 2.6727183
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.29536992
• LogD (pH = 7.4): -0.29786178
• Log P: -0.29508677
• Molar Refractivity: 54.3183 cm^3
• Polarizability: 21.49395 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 98%