betaine
C₅H₁₁NO₂·117.150 g/mol·CID 247
IUPAC: 2-(trimethylazaniumyl)acetate
Also known as: 107-43-7, glycine betaine, oxyneurine, Trimethylglycine, lycine (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
117.150g/mol
Exact Mass
117.078979Da
Monoisotopic Mass
117.078979Da
XLogP
0.5
Polar Surface Area
40.1Ų
Complexity
87
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
2
Rotatable Bonds
1
Heavy Atoms
8
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 117.2 g/mol
MW ≤ 500
✓ 0.5
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 2
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
(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
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