3-oxopentanedioic acid
C₅H₆O₅·146.100 g/mol·CID 68328
Also known as: 3-Oxoglutaric acid, Acetonedicarboxylic acid, Pentanedioic acid, 3-oxo-, beta-KETOGLUTARIC ACID, UNII-IH7P7WO21P (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
146.100g/mol
Exact Mass
146.021523Da
Monoisotopic Mass
146.021523Da
XLogP
-0.7
Polar Surface Area
91.7Ų
Complexity
153
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
5
Rotatable Bonds
4
Heavy Atoms
10
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 146.1 g/mol
MW ≤ 500
✓ -0.7
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 5
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₅H₆O₅
2-oxopentanedioic acid
CID 51 · 146.1 g/mol
hydron;2-oxopentanedioate
CID 156274072 · 146.1 g/mol
(2S)-2-hydroxypentanedioate
CID 5460355 · 146.1 g/mol
(2R)-2-hydroxypentanedioate
CID 5460200 · 146.1 g/mol
(2R)-3,4-dihydroxy-2-(hydroxymethyl)-2H-furan-5-one
CID 54675775 · 146.1 g/mol
(2R)-2-hydroxy-2-methylbutanedioate
CID 5460281 · 146.1 g/mol
(2S)-3,4-dihydroxy-2-(hydroxymethyl)-2H-furan-5-one
CID 117669210 · 146.1 g/mol
2-hydroxy-2-methylbutanedioate
CID 4377441 · 146.1 g/mol