Valine
C₅H₁₁NO₂·117.148 g/mol·Amino Acids·CID 6287
Amino AcidEssentialBCAA
An essential branched-chain amino acid (BCAA). Its hydrophobic isopropyl side chain makes it frequently found in protein interiors. One of the three BCAAs (with leucine and isoleucine) important for muscle metabolism and energy during exercise.
IUPAC: (2S)-2-amino-3-methylbutanoic acid
Also known as: valine, 72-18-4, (S)-Valine, (2S)-2-amino-3-methylbutanoic acid, (S)-2-Amino-3-methylbutanoic acid (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
117.150g/mol
Exact Mass
117.078979Da
Monoisotopic Mass
117.078979Da
XLogP
-2.3
Polar Surface Area
63.3Ų
Complexity
90
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
3
Rotatable Bonds
2
Heavy Atoms
8
Stereo Centers
1
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 117.2 g/mol
MW ≤ 500
✓ -2.3
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/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
Constituent Elements
Isomers8 compounds with formula C₅H₁₁NO₂
3-methylbutyl nitrite
CID 8053 · 117.2 g/mol
2-(trimethylazaniumyl)acetate
CID 247 · 117.2 g/mol
5-aminopentanoic acid
CID 138 · 117.2 g/mol
pentyl nitrite
CID 10026 · 117.2 g/mol
2-amino-3-methylbutanoic acid
CID 1182 · 117.2 g/mol
(2R)-2-amino-3-methylbutanoic acid
CID 71563 · 117.2 g/mol
(2S)-2-aminopentanoic acid
CID 65098 · 117.2 g/mol
butyl carbamate
CID 11596 · 117.2 g/mol