β-Leucine
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β-Leucine
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CAS No:
5699-54-7
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Formula:
C6H13NO2
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Chemical Name:
β-Leucine
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Synonyms:
Pentanoic acid,3-amino-4-methyl-;Valeric acid,3-amino-4-methyl-;3-Amino-4-methylpentanoic acid;β-Leucine;β-Aminoisocaproic acid;DL-β-Leucine;(±)-3-Amino-4-methylpentanoic acid;37631-91-7
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CAS No:
Description
3-Amino-4-methylpentanoic acid is a beta amino acid and positional isomer of L-leucine which is naturally produced in humans via the metabolism of L-leucine by the enzyme leucine 2,3-aminomutase.
Beta-leucine is a beta-amino acid that is pentanoic acid substituted at positions 3 and 4 by amino and methyl groups respectively. It has a role as a human metabolite.
Characteristics
63.3
-2.1
white fine crystalline powder
1.0±0.1 g/cm3
197-197.5 °C @ Solvent: Ethanol
232°C at 760 mmHg
94.1±22.6 °C
1.463
Safety Information
IRRITANT
NONH for all modes of transport
3
24/25
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
β-Leucine Use and Manufacturing
General procedure: The reactions were carried out in a pH-stat at 30C under continuous stirring. A water solution (25 mL) containing 0.025 MN-PhAc-amino acid racemic mixture was incubated at pH 7.5 for 30 min. 50 U of PGAEc or PGAA were added to the reaction mixture and the pH was maintained at 7.5 by titration (2 M NH4OH).
Computed Properties
Molecular Weight:131.17
XLogP3:-2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:131.094628657
Monoisotopic Mass:131.094628657
Topological Polar Surface Area:63.3
Heavy Atom Count:9
Complexity:101
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes