(2R)-2-amino-3-(3-hydroxyphenyl)propanoic acid

• ChemBase ID: 293589
• Molecular Formular: C9H11NO3
• Molecular Mass: 181.18854
• Monoisotopic Mass: 181.07389322
• SMILES: N[C@H](Cc1cc(O)ccc1)C(=O)O
• Canonical SMILES: OC(=O)[C@@H](Cc1cccc(c1)O)N
• InChI: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1
• InChIKey: JZKXXXDKRQWDET-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-3-(3-hydroxyphenyl)propanoic acid
• IUPAC Traditional name: (2R)-2-amino-3-(3-hydroxyphenyl)propanoic acid
• Synonyms: D-m-Tyrosine

Database IDs

• CAS Number: 32140-49-1
• PubChem SID: 180679120
• PubChem CID: 6950580

CALCULATED PROPERTIES

• Acid pKa: 2.0020301
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.488467
• LogD (pH = 7.4): -1.4959543
• Log P: -1.4885992
• Molar Refractivity: 47.0972 cm^3
• Polarizability: 18.512545 Å^3
• Polar Surface Area: 83.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%