Isoleucine
C₆H₁₃NO₂·131.175 g/mol·Amino Acids·CID 791
Amino AcidEssentialBCAAChiral
An essential BCAA and an isomer of leucine. Has two chiral centers — only the L-form (2S,3S) is found in proteins. Important for hemoglobin synthesis, blood sugar regulation, and muscle repair.
IUPAC: 2-amino-3-methylpentanoic acid
Also known as: CHEBI:38264, RefChem:463945, DL-ISOLEUCINE, 443-79-8, 2095501-92-9 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
131.170g/mol
Exact Mass
131.094629Da
Monoisotopic Mass
131.094629Da
XLogP
-1.7
Polar Surface Area
63.3Ų
Complexity
103
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
3
Rotatable Bonds
3
Heavy Atoms
9
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 131.2 g/mol
MW ≤ 500
✓ -1.7
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)