SCHEMBL11153768
C₅H₁₁NO₂·117.150 g/mol·CID 88733505
IUPAC: (2S)-2-amino-3-methylbutanoate;hydron
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
117.150g/mol
Exact Mass
117.078979Da
Monoisotopic Mass
117.078979Da
XLogP
—
Polar Surface Area
66.2Ų
Complexity
84
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
3
Rotatable Bonds
1
Heavy Atoms
8
Stereo Centers
1
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 117.2 g/mol
MW ≤ 500
? —
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
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
pentyl nitrite
CID 10026 · 117.2 g/mol
5-aminopentanoic acid
CID 138 · 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