2-Amino-3-hydroxybutanoic acid
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Basic information
- CAS
144-98-9- Standard SMILES
CC(O)C(N)C(=O)O- InChIKey
AYFVYJQAPQTCCC-UHFFFAOYSA-N- Molecular formula
- C4H9NO3
- Average molar mass
- 119.12 g/mol
- Monoisotopic mass
- 119.05824315
Overview
2-amino-3-hydroxybutanoic acid is an alpha-amino acid that is butanoic acid substituted by an amino group at position 2 and a hydroxy group at position 3. It has a role as a plant metabolite.
Names & identifiers
- Preferred name
- 2-Amino-3-hydroxybutanoic acid
- IUPAC
- 2-amino-3-hydroxybutanoic acid
- English name
- 2-Amino-3-hydroxybutanoic acid
- Molecular formula
- C4H9NO3
- Molecular weight
- 119.12
Names & synonyms
2-amino-3-hydroxybutanoic acidCHEBI:38263DTXSID301015364RefChem:463904DTXCID40210085DL-Threonine80-68-27004-04-8Allo-DL-threonineDL-allo-Threonine144-98-9DL-2-Amino-3-hydroxybutanoic acid
Show more names
R-(R*,S*)]-2-Amino-3-hydroxybutanoic acid
2-amino-3-hydroxy-butanoic acidButanoic acid, 2-amino-3-hydroxy-MFCD00066665DL-Threonine (contains DL-Allothreonine)760PJT2SS0DL-allothreonineH-DL-allo-Thr-OHWLN: QY1&YZVQ -L
Database identifiers
- CAS
144-98-9、24830-94-2、28954-12-3、632-20-2、7004-04-8、72-19-5、80-68-2- PubChem CID
- 205
- DTXSID
DTXSID301015364- ChEMBL
CHEMBL30037- ChEBI
CHEBI:38263- UNII
- 760PJT2SS0
- EC Number
- 201-300-6、205-645-3
- Nikkaji
- J1.252A
Properties
Computed structural propertiesFilling in
- XLogP
- -2.9
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 93.3
Experimental & physicochemical properties
Chemical ClassesBiological Agents -> Amino Acids and Derivatives
DrugsPharmaceuticals
Solubility
Sparingly soluble in water; Soluble in buffer systems pH 5.5
Practically insoluble (in ethanol)
Physical Description
Hemihydrate: Solid; [Merck Index] White powder; [Sigma-Aldrich MSDS]
White crystalline powder; slight savoury aroma
Physicochemical properties
- Boiling point
- 345.803 · 345.803±32.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.307 · 1.307±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 2.186 · 2.186±0.10(predicted)
- FDA UNII
- 760 PJT2SS0 · 760PJT2SS0
- Symbol(GHS)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 92.2% (214 of 232) of all reports.
Not Classified
Aggregated GHS information provided per 232 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: DL-Threonine
Other Safety InformationIMAP assessments - DL-Threonine: Environment tier I assessment
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified
Toxicology
Toxicity Summary
L-Threonine is a precursor to the amino acids glycine and serine. It acts as a lipotropic in controlling fat build-up in the liver. May help combat mental illness and may be very useful in indigestion and intestinal malfunctions. Also, threonine prevents excessive liver fat. Nutrients are more readily absorbed when threonine is present.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
Chemistry & industry
Pharmacology
Metabolism/MetabolitesHepatic
Uses & manufacturing
Uses
An essential amino acid; [Merck Index]
L-Threonine makes up collagen, elastin, and enamel protein. It aids proper fat metabolism in the liver, helps the digestive and intestinal tracts function more smoothly, and assists in metabolism and assimilation.
Use ClassificationFlavoring Agents -> JECFA Flavorings Index
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 2-amino-3-hydroxybutanoic acid is an alpha-amino acid that is butanoic acid substituted by an amino group at position 2 and a hydroxy group at position 3. It has a role as a plant metabolite.
Related reactions
20 records
Compound notes
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