2-Methylleucine
Basic information
- CAS
105743-53-1- Standard SMILES
CC(C)C[C@](C)(N)C(=O)O- InChIKey
ARSWQPLPYROOBG-ZETCQYMHSA-N- Molecular formula
- C7H15NO2
- Average molar mass
- 145.2 g/mol
- Monoisotopic mass
- 145.11027872
Names & identifiers
- Preferred name
- 2-Methylleucine
- IUPAC
- (2S)-2-amino-2,4-dimethylpentanoic acid
- English name
- H-alpha-Me-Leu-OH
- Molecular formula
- C7H15NO2
- Molecular weight
- 145.2
Names & synonyms
105743-53-12-Methylleucine(S)-2-Amino-2,4-dimethylpentanoic acidH-ALPHA-ME-LEU-OHL-Leucine, 2-methyl-alpha-Methylleucine2-METHYL-L-LEUCINE(2S)-2-amino-2,4-dimethylpentanoic acid(S)-2-MethylleucineMFCD0171627983ASW57LTZLeucine, 2-methyl-
Show more names
H-α-Me-Leu-OHα-Methyl-L-leucineN-ME-LEU-OHα-Me-Leu-OHL-alpha-Methylleucine2-Me-L-Leu-OHL-α-MethylleucineALPHA-METHYL-L-LEUCINEL-Leucine, 2-methyl- (9CI)
alpha-Methylleucine, L-UNII-83ASW57LTZalpha-Me-Leu-OHH--Me-Leu-OH(2S)-2-amino-2,4-dimethyl-pentanoic acidH-ALFA-ME-LEU-OH(S)-A-METHYLLEUCINE.ALPHA.-METHYLLEUCINE
Database identifiers
- CAS
105743-53-1- PubChem CID
- 446181
- DTXSID
DTXSID001377476- UNII
- 83ASW57LTZ
- Nikkaji
- J263.665D
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 134
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 265 °C · >265 °C (decomp)
- Boiling point
- 236 · 236.0±23.0 °C(Predicted)
- Density
- 1.016 · 1.016±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 2.59 · 2.59±0.41(Predicted)
- form
- Powder
- color
- White to pale yellow
- InChI
- InChI=1S/C7H15NO2/c1-5(2)4-7(3,8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t7-/m0/s1
- InChIKey
- ARSWQPLPYROOBG-ZETCQYMHSA-N
- SMILES
- C(O)(=O)[C@](C)(CC(C)C)N
- FDA UNII
- 83 ASW57LTZ · 83ASW57LTZ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesH-α-Me-Leu-OH can be useful in computational design of multisubstrate enzyme specificity.
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Related reactions
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Compound notes
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