(2S)-2-azaniumyl-5-hydroxy-5-oxopentanoate
C₅H₉NO₄·147.130 g/mol·CID 44272391
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
147.130g/mol
Exact Mass
147.053158Da
Monoisotopic Mass
147.053158Da
XLogP
-3.0
Polar Surface Area
105.0Ų
Complexity
139
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
4
Rotatable Bonds
3
Heavy Atoms
10
Stereo Centers
1
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 147.1 g/mol
MW ≤ 500
✓ -3.0
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
Isomers8 compounds with formula C₅H₉NO₄
(2S)-2-aminopentanedioic acid
CID 33032 · 147.1 g/mol
(2R)-2-(methylamino)butanedioic acid
CID 22880 · 147.1 g/mol
(2R)-2-aminopentanedioic acid
CID 23327 · 147.1 g/mol
2-aminopentanedioic acid
CID 611 · 147.1 g/mol
(2S)-2-acetamido-3-hydroxypropanoic acid
CID 65249 · 147.1 g/mol
(2S)-3-acetyloxy-2-aminopropanoic acid
CID 99478 · 147.1 g/mol
2-[hydroxy(propan-2-yl)amino]-2-oxoacetic acid
CID 73284 · 147.1 g/mol
2-(methylamino)butanedioic acid
CID 4376 · 147.1 g/mol