Pentenedioic acid
C₅H₆O₄·130.100 g/mol·CID 74406
IUPAC: pent-2-enedioic acid
Also known as: RefChem:1094559, CHEBI:36129, SCHEMBL21841, 2-Pentenedioic acid,(2E)-, SCHEMBL7619085 (+5 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
130.100g/mol
Exact Mass
130.026609Da
Monoisotopic Mass
130.026609Da
XLogP
-0.3
Polar Surface Area
74.6Ų
Complexity
147
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
4
Rotatable Bonds
3
Heavy Atoms
9
Stereo Centers
0
Bond Stereo
1
Drug-Likeness (Lipinski's Rule of Five)
✓ 130.1 g/mol
MW ≤ 500
✓ -0.3
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Isomers8 compounds with formula C₅H₆O₄
(E)-4-methoxy-4-oxobut-2-enoic acid
CID 5369209 · 130.1 g/mol
(E)-pent-2-enedioic acid
CID 5280498 · 130.1 g/mol
2-methylidenebutanedioic acid
CID 811 · 130.1 g/mol
(Z)-4-methoxy-4-oxobut-2-enoic acid
CID 5354456 · 130.1 g/mol
(E)-2-methylbut-2-enedioic acid
CID 638129 · 130.1 g/mol
(Z)-2-methylbut-2-enedioic acid
CID 643798 · 130.1 g/mol
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455 · 130.1 g/mol
cyclopropane-1,1-dicarboxylic acid
CID 69017 · 130.1 g/mol