2-formamidoacetic acid

• ChemBase ID: 103275
• Molecular Formular: C3H5NO3
• Molecular Mass: 103.0767
• Monoisotopic Mass: 103.02694303
• SMILES: OC(=O)CNC=O
• Canonical SMILES: O=CNCC(=O)O
• InChI: InChI=1S/C3H5NO3/c5-2-4-1-3(6)7/h2H,1H2,(H,4,5)(H,6,7)
• InChIKey: UGJBHEZMOKVTIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-formamidoacetic acid
• IUPAC Traditional name: glycine, N-formyl-
• Synonyms: N-Formylglycine; N-FORMYLGLYCINE; N-甲酰甘氨酸

Database IDs

• CAS Number: 2491-15-8
• EC Number: 219-649-8
• MDL Number: MFCD00037360
• Beilstein Number: 1749108
• PubChem SID: 162103292; 24871345
• PubChem CID: 75606

CALCULATED PROPERTIES

• Acid pKa: 3.5595653
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.3116732
• LogD (pH = 7.4): -4.734055
• Log P: -1.3773277
• Molar Refractivity: 20.9567 cm^3
• Polarizability: 8.200925 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149-151 °C

Safety Information

• Storage Condition: 0°C
• RTECS: MC0547000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0%
• Linear Formula: HCONHCH2COOH

DETAILS

MP Biomedicals - 02151164

Crystalline

Sigma Aldrich - 47723

Packaging
5 g in glass bottle