3-amino-2-hydroxypropanoic acid

• ChemBase ID: 112627
• Molecular Formular: C3H7NO3
• Molecular Mass: 105.09258
• Monoisotopic Mass: 105.04259309
• SMILES: NCC(O)C(=O)O
• Canonical SMILES: NCC(C(=O)O)O
• InChI: InChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)
• InChIKey: BMYNFMYTOJXKLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-2-hydroxypropanoic acid
• IUPAC Traditional name: isoserine
• Synonyms: ISOSERINE; (±)-3-Amino-2-hydroxypropionic acid; DL-2-Hydroxy-3-aminopropionic acid; DL-Isoserine; 3-AMino-2-hydroxypropanoic acid; (±)-3-氨基-2-羟基丙酸; DL-异丝氨酸

Database IDs

• CAS Number: 632-12-2; 565-71-9
• MDL Number: MFCD00008138
• Beilstein Number: 1721413
• PubChem SID: 24881734; 24857239; 162097548
• PubChem CID: 11267

CALCULATED PROPERTIES

• Acid pKa: 3.193472
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.8899539
• LogD (pH = 7.4): -3.8903162
• Log P: -3.8887994
• Molar Refractivity: 22.041 cm^3
• Polarizability: 9.0643015 Å^3
• Polar Surface Area: 83.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 235 °C (dec.)(lit.); 235°C dec.

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97.0% (TLC); 98%
• Linear Formula: H2NCH2CH(OH)CO2H

DETAILS

MP Biomedicals - 05225037

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 286338

Packaging
1 g in glass bottle