DL-Valine
C₅H₁₁NO₂·117.150 g/mol·CID 1182
IUPAC: 2-amino-3-methylbutanoic acid
Also known as: 516-06-3, 2-Amino-3-methylbutanoic acid, Valine, DL-, FEMA No. 3444, D,L-VALINE (+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
0
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
Isomers8 compounds with formula C₅H₁₁NO₂
3-methylbutyl nitrite
CID 8053 · 117.2 g/mol
2-(trimethylazaniumyl)acetate
CID 247 · 117.2 g/mol
(2S)-2-amino-3-methylbutanoic acid
CID 6287 · 117.2 g/mol
5-aminopentanoic acid
CID 138 · 117.2 g/mol
pentyl nitrite
CID 10026 · 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
4-methyl-4-oxidomorpholin-4-ium
CID 82029 · 117.2 g/mol