(2S)-2,6-diaminohexanoate;hydron
C₆H₁₄N₂O₂·146.190 g/mol·CID 71774817
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
146.190g/mol
Exact Mass
146.105528Da
Monoisotopic Mass
146.105528Da
XLogP
—
Polar Surface Area
92.2Ų
Complexity
100
Formal Charge
0
H-Bond Donors
3
H-Bond Acceptors
4
Rotatable Bonds
4
Heavy Atoms
10
Stereo Centers
1
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 146.2 g/mol
MW ≤ 500
? —
LogP ≤ 5
✓ 3
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
Isomers8 compounds with formula C₆H₁₄N₂O₂
(2S)-2,6-diaminohexanoic acid
CID 5962 · 146.2 g/mol
2,6-diaminohexanoic acid
CID 866 · 146.2 g/mol
3-[(trimethylazaniumyl)amino]propanoate
CID 123868 · 146.2 g/mol
(2R)-2,6-diaminohexanoic acid
CID 57449 · 146.2 g/mol
N-ethyl-N-(4-hydroxybutyl)nitrous amide
CID 41223 · 146.2 g/mol
(2S)-2-amino-N-hydroxy-4-methylpentanamide
CID 3080766 · 146.2 g/mol
(2S)-6-amino-2-azaniumylhexanoate
CID 122198194 · 146.2 g/mol
(2S)-2-amino-6-azaniumylhexanoate
CID 168007633 · 146.2 g/mol