Basic information
- CAS
10182-82-8- Standard SMILES
NC(Cn1ccc(=O)c(O)c1)C(=O)O- InChIKey
WZNJWVWKTVETCG-UHFFFAOYSA-N- Molecular formula
- C8H10N2O4
- Average molar mass
- 198.18 g/mol
- Monoisotopic mass
- 198.0640568
Overview
2-amino-3-(3-hydroxy-4-oxo-1-pyridinyl)propanoic acid is an alpha-amino acid.
Names & identifiers
- Preferred name
- alpha-Amino-3-hydroxy-4-oxo-1(4H)-pyridinepropanoic acid
- IUPAC
- 2-amino-3-(3-hydroxy-4-oxo-1-pyridinyl)propanoic acid
- English name
- 2-amino-3-(3-hydroxy-4-oxo-pyridin-1-yl)propanoic acid
- Molecular formula
- C8H10N2O4
- Molecular weight
- 0
Names & synonyms
2116-55-4RefChem:1076441alpha-Amino-3-hydroxy-4-oxo-1(4H)-pyridinepropanoic acid2-amino-3-(3-hydroxy-4-oxopyridin-1(4H)-yl)propanoic acidDL-Mimosine10182-82-8Mimosine, (+/-)-NSC1595481(4H)-Pyridinealanine, 3-hydroxy-4-oxo-2-amino-3-(3-hydroxy-4-oxo-1,4-dihydropyridin-1-yl)propanoic acidX9W047UL80NSC69188
Show more names
LecenineLeucaenolLeucaenineMimosine (base)2-amino-3-(3-hydroxy-4-oxo-pyridin-1-yl)propanoic acidα-Amino-1,4-dihydro-3-hydroxy-4-oxopyridine-1-propionic acid
NSC-1595481(4H)-Pyridinepropionic acid, .alpha.-amino-3-hydroxy-4-oxo-3-(3-Hydroxy-4-oxopyridin-1(4H)-yl)alanine.beta.-[N-(3-Hydroxy-4-pyridone)]-.alpha.-aminopropionic acidPrestwick_830(+/-)-mimosineSpectrum_000287starbld0038733
Database identifiers
- CAS
10182-82-8、2116-55-4、27678-82-6、500-44-7
Properties
Computed structural properties
- XLogP
- -3.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 321
Experimental & physicochemical properties
Collision Cross Section145.28 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Boiling point
- 335.48 °C · 335.48°C (rough estimate)
- Density
- 1.3764 · 1.3764 (rough estimate)
- refractive index
- 1.618 · 1.6180 (estimate)
Chemistry & industry
Suppliers1 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Additional notes
DefinitionChEBI: 2-amino-3-(3-hydroxy-4-oxo-1-pyridinyl)propanoic acid is an alpha-amino acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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