2-[carboxymethyl-[2-[2-[carboxymethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetic acid

C32H57N5O12 — CID 50943130

IUPAC2-[carboxymethyl-[2-[2-[carboxymethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetic acid
SMILESCC1(C)CC(O)CC(C)(C)N1OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)ON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C32H57N5O12/c1-29(2)13-22(38)14-30(3,4)36(29)48-27(46)20-33(9-11-34(17-24(40)41)18-25(42)43)10-12-35(19-26(44)45)21-28(47)49-37-31(5,6)15-23(39)16-32(37,7)8/h22-23,38-39H,9-21H2,1-8H3,(H,40,41)(H,42,43)(H,44,45)
InChIKeyFVOHACIGKQLDBI-UHFFFAOYSA-N
MW703.83 g/mol
LogP0.09
Rot. Bonds18

About 2-[carboxymethyl-[2-[2-[carboxymethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetic acid

2-[carboxymethyl-[2-[2-[carboxymethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetic acid (PubChem CID 50943130) has the molecular formula C32H57N5O12 and a molecular weight of 703.83 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-[2-[carboxymethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-[2-[carboxymethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetic acid
PubChem CID50943130
Molecular FormulaC32H57N5O12
Molecular Weight703.83 g/mol
Exact Mass703.40
IUPAC Name2-[carboxymethyl-[2-[2-[carboxymethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetic acid
SMILESCC1(C)CC(O)CC(C)(C)N1OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)ON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C32H57N5O12/c1-29(2)13-22(38)14-30(3,4)36(29)48-27(46)20-33(9-11-34(17-24(40)41)18-25(42)43)10-12-35(19-26(44)45)21-28(47)49-37-31(5,6)15-23(39)16-32(37,7)8/h22-23,38-39H,9-21H2,1-8H3,(H,40,41)(H,42,43)(H,44,45)
InChIKeyFVOHACIGKQLDBI-UHFFFAOYSA-N
XLogP0.09
TPSA221.16 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.83
LogP ≤ 50.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 2-[carboxymethyl-[2-[2-[carboxymethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol)
CID 173025963
2-[carboxymethyl-[2-[carboxymethyl-[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)oxyethyl]amino]ethyl]amino]acetic acid
CID 50943678
2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 19388423
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ruthenium
CID 173217392
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 87578927
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1,2,2,6,6-pentamethylpiperidin-4-one)
CID 173026071
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;lanthanum(3+)
CID 10230281
Ca-DTPA
CID 86735184
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+)
CID 6396686
Pentasodium (carboxymethylimino)bis(ethylene-nitrilo)tetraacetic acid
CID 131710950
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid;molecular hydrogen
CID 160537097
disodium;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(3+)
CID 139596317

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-[2-[carboxymethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-[2-[carboxymethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetic acid (CID 50943130) is 2-[carboxymethyl-[2-[2-[carboxymethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-[2-[carboxymethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-[2-[carboxymethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetic acid is CC1(C)CC(O)CC(C)(C)N1OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)ON1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 2-[carboxymethyl-[2-[2-[carboxymethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetic acid?
The InChIKey is FVOHACIGKQLDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H57N5O12/c1-29(2)13-22(38)14-30(3,4)36(29)48-27(46)20-33(9-11-34(17-24(40)41)18-25(42)43)10-12-35(19-26(44)45)21-28(47)49-37-31(5,6)15-23(39)16-32(37,7)8/h22-23,38-39H,9-21H2,1-8H3,(H,40,41)(H,42,43)(H,44,45).
What are the key properties of 2-[carboxymethyl-[2-[2-[carboxymethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetic acid?
2-[carboxymethyl-[2-[2-[carboxymethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetic acid has a molecular weight of 703.83 g/mol, XLogP of 0.09, 18 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-[2-[carboxymethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetic acid is sourced from PubChem (CID 50943130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).