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

• ChemBase ID: 292053
• Molecular Formular: C4H9NO3
• Molecular Mass: 119.11916
• Monoisotopic Mass: 119.05824315
• SMILES: O=C(O)[C@@H](N)COC
• Canonical SMILES: COC[C@@H](C(=O)O)N
• InChI: InChI=1S/C4H9NO3/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
• InChIKey: KNTFCRCCPLEUQZ-VKHMYHEASA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 32620-11-4
• MDL Number: MFCD00145257
• PubChem SID: 180677584
• PubChem CID: 88250

CALCULATED PROPERTIES

• Acid pKa: 2.2052925
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.2437303
• LogD (pH = 7.4): -3.258556
• Log P: -3.244027
• Molar Refractivity: 26.7922 cm^3
• Polarizability: 10.934595 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%