2-amino-3-methoxypropanoic acid

• ChemBase ID: 44800
• Molecular Formular: C4H9NO3
• Molecular Mass: 119.11916
• Monoisotopic Mass: 119.05824315
• SMILES: C(=O)(C(N)COC)O
• Canonical SMILES: COCC(C(=O)O)N
• InChI: InChI=1S/C4H9NO3/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
• InChIKey: KNTFCRCCPLEUQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-methoxypropanoic acid
• IUPAC Traditional name: DL-serine, O-methyl-
• Synonyms: 2-Amino-3-methoxypropanoic acid; O-Methyl-DL-serine; O-METHYL-DL-SERINE

Database IDs

• CAS Number: 19794-53-7
• MDL Number: MFCD00037773
• PubChem SID: 24897157; 162049563
• PubChem CID: 97963

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

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: IRRITANT; Irritant
• German water hazard class: 3
• TSCA Listed: false
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: >95%

DETAILS

MP Biomedicals - 02155659

Crystalline

Sigma Aldrich - M7378

Biochem/physiol Actions
O-Methyl-DL-serine is a derivative of L-serine that has an affects E. Coli growth.