2-((2-Hydroxy-3-methylbutanoyl)amino)-4-methylpentanoic acid
Basic information
- CAS
70134-19-9- Standard SMILES
CC(C)CC(NC(=O)C(O)C(C)C)C(=O)O- InChIKey
SWEPQJJUAVEABL-UHFFFAOYSA-N- Molecular formula
- C11H21NO4
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.14705815
Overview
2-[(2-Hydroxy-3-methylbutanoyl)amino]-4-methylpentanoic acid is a leucine derivative.
Names & identifiers
- Preferred name
- 2-((2-Hydroxy-3-methylbutanoyl)amino)-4-methylpentanoic acid
- IUPAC
- 2-[(2-hydroxy-3-methylbutanoyl)amino]-4-methylpentanoic acid
- English name
- L-Leucine, N-(2-hydroxy-3-methyl-1-oxobutyl)-
- Molecular formula
- C11H21NO4
- Molecular weight
- 231.29
Names & synonyms
2-[(2-hydroxy-3-methylbutanoyl)amino]-4-methylpentanoic acid2-((2-Hydroxy-3-methylbutanoyl)amino)-4-methylpentanoic acidRefChem:24923970134-19-9Compound NP-024430orb3170655CHEBI:181543DTXSID901345905AKOS040737148T128033L-Leucine, N-(2-hydroxy-3-methyl-1-oxobutyl)-2-(2-hydroxy-3-methylbutanamido)-4-methylpentanoic acid
Database identifiers
- CAS
70134-19-9- PubChem CID
- 51136333
- DTXSID
DTXSID901345905- ChEBI
CHEBI:181543
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 434.7 · 434.7±30.0 °C(Predicted)
- Density
- 1.103 · 1.103±0.06 g/cm3(Predicted)
- pka
- 3.44 · 3.44±0.10(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 2-[(2-Hydroxy-3-methylbutanoyl)amino]-4-methylpentanoic acid is a leucine derivative.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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