IMINODIACETIC ACID
C₄H₇NO₄·133.100 g/mol·CID 8897
IUPAC: 2-(carboxymethylamino)acetic acid
Also known as: 142-73-4, Iminodiethanoic acid, 2,2'-Iminodiacetic acid, Aminodiacetic acid, Diglycin (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
133.100g/mol
Exact Mass
133.037508Da
Monoisotopic Mass
133.037508Da
XLogP
-3.3
Polar Surface Area
86.6Ų
Complexity
108
Formal Charge
0
H-Bond Donors
3
H-Bond Acceptors
5
Rotatable Bonds
4
Heavy Atoms
9
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 133.1 g/mol
MW ≤ 500
✓ -3.3
LogP ≤ 5
✓ 3
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 irritationH412Harmful to aquatic life with long lasting effects
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₄H₇NO₄
(2S)-2-aminobutanedioic acid
CID 5960 · 133.1 g/mol
(2R)-2-aminobutanedioic acid
CID 83887 · 133.1 g/mol
2-aminobutanedioic acid
CID 424 · 133.1 g/mol
(3S)-3-azaniumyl-4-hydroxy-4-oxobutanoate
CID 44367445 · 133.1 g/mol
(2S)-2-azaniumyl-4-hydroxy-4-oxobutanoate
CID 139060126 · 133.1 g/mol
(2S)-2-aminobutanedioate;hydron
CID 173074227 · 133.1 g/mol
ethyl 2-nitroacetate
CID 69379 · 133.1 g/mol
(2R)-2-azaniumyl-4-hydroxy-4-oxobutanoate
CID 139148725 · 133.1 g/mol