SCHEMBL1997913
C₁₀H₁₆N₂O₈·292.240 g/mol·CID 15375363
IUPAC: 2-[2-aminoethyl(1,2-dicarboxyethyl)amino]butanedioic acid
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
292.240g/mol
Exact Mass
292.090665Da
Monoisotopic Mass
292.090665Da
XLogP
-7.0
Polar Surface Area
178.0Ų
Complexity
363
Formal Charge
0
H-Bond Donors
5
H-Bond Acceptors
10
Rotatable Bonds
10
Heavy Atoms
20
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 292.2 g/mol
MW ≤ 500
✓ -7.0
LogP ≤ 5
✓ 5
H-bond donors ≤ 5
✓ 10
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C10H16N2O8/c11-1-2-12(5(9(17)18)3-7(13)14)6(10(19)20)4-8(15)16/h5-6H,1-4,11H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
Isomers8 compounds with formula C₁₀H₁₆N₂O₈
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 6049 · 292.2 g/mol
(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid
CID 497266 · 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