2-amino-3-hydroxypropanoic acid

• ChemBase ID: 135282
• Molecular Formular: C3H7NO3
• Molecular Mass: 106.0859889
• Monoisotopic Mass: 106.03962798
• SMILES: C(C(C(=O)O)[15NH2])O
• Canonical SMILES: OCC(C(=O)O)[15NH2]
• InChI: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/i4+1
• InChIKey: MTCFGRXMJLQNBG-AZXPZELESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-hydroxypropanoic acid
• IUPAC Traditional name: serin
• Synonyms: DL-Serine-15N; DL-丝氨酸-15N

Database IDs

• MDL Number: MFCD00144187
• PubChem SID: 162229557
• PubChem CID: 12219624

CALCULATED PROPERTIES

• Acid pKa: 2.03399
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.8875728
• LogD (pH = 7.4): -3.8992038
• Log P: -3.8877351
• 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: 240 °C (dec.)(lit.)
• Mass Shift: M+1

Product Information

• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 106.08 by atom % calculation
• Linear Formula: HOCH2CH(15NH2)CO2H

DETAILS

Sigma Aldrich - 609048

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.