20846-91-7
C₁₀H₁₆N₂O₈·292.240 g/mol·CID 497266
IUPAC: (2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid
Also known as: N,N'-Ethylenediamine disuccinic acid, EDDS cpd, 5WK2FGJ113, N,N'-Ethylenediaspartic acid, DTXSID1051852 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
292.240g/mol
Exact Mass
292.090665Da
Monoisotopic Mass
292.090665Da
XLogP
-6.9
Polar Surface Area
173.0Ų
Complexity
347
Formal Charge
0
H-Bond Donors
6
H-Bond Acceptors
10
Rotatable Bonds
11
Heavy Atoms
20
Stereo Centers
2
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 292.2 g/mol
MW ≤ 500
✓ -6.9
LogP ≤ 5
✗ 6
H-bond donors ≤ 5
✓ 10
H-bond acceptors ≤ 10
1 violation — may still have acceptable bioavailability
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C10H16N2O8/c13-7(14)3-5(9(17)18)11-1-2-12-6(10(19)20)4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-,6-/m0/s1
Isomers8 compounds with formula C₁₀H₁₆N₂O₈
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 6049 · 292.2 g/mol
2-[2-[carboxylatomethyl(carboxymethyl)azaniumyl]ethyl-(carboxymethyl)azaniumyl]acetate
CID 5232305 · 292.2 g/mol
2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;hydron
CID 173165358 · 292.2 g/mol
2-[2-(1,2-dicarboxyethylamino)ethylamino]butanedioic acid
CID 123395 · 292.2 g/mol
2-[[2-[bis[carboxy(dideuterio)methyl]amino]-1,1,2,2-tetradeuterioethyl]-[carboxy(dideuterio)methyl]amino]-2,2-dideuterioacetic acid
CID 16213435 · 304.3 g/mol
deuterio 2-[2-[bis(2-deuteriooxy-2-oxoethyl)amino]ethyl-(2-deuteriooxy-2-oxoethyl)amino]acetate
CID 16217600 · 296.3 g/mol
[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate
CID 14094985 · 292.2 g/mol
2-[2-aminoethyl(1,2-dicarboxyethyl)amino]butanedioic acid
CID 15375363 · 292.2 g/mol