1,1,2-tris(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid

C35H61N3O8 — CID 18358611

IUPAC1,1,2-tris(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
SMILESCC1(C)CC(C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(CC(=O)O)C(=O)O)CC(C)(C)N1
InChIInChI=1S/C35H61N3O8/c1-28(2)14-20(15-29(3,4)36-28)34(26(43)44,21-16-30(5,6)37-31(7,8)17-21)35(27(45)46,23(25(41)42)13-24(39)40)22-18-32(9,10)38-33(11,12)19-22/h20-23,36-38H,13-19H2,1-12H3,(H,39,40)(H,41,42)(H,43,44)(H,45,46)
InChIKeyZPMPGHIHBJKHHH-UHFFFAOYSA-N
MW651.89 g/mol
LogP4.97
Rot. Bonds10

About 1,1,2-tris(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid

1,1,2-tris(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid (PubChem CID 18358611) has the molecular formula C35H61N3O8 and a molecular weight of 651.89 g/mol. Its IUPAC name is 1,1,2-tris(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name1,1,2-tris(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
PubChem CID18358611
Molecular FormulaC35H61N3O8
Molecular Weight651.89 g/mol
Exact Mass651.45
IUPAC Name1,1,2-tris(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
SMILESCC1(C)CC(C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(CC(=O)O)C(=O)O)CC(C)(C)N1
InChIInChI=1S/C35H61N3O8/c1-28(2)14-20(15-29(3,4)36-28)34(26(43)44,21-16-30(5,6)37-31(7,8)17-21)35(27(45)46,23(25(41)42)13-24(39)40)22-18-32(9,10)38-33(11,12)19-22/h20-23,36-38H,13-19H2,1-12H3,(H,39,40)(H,41,42)(H,43,44)(H,45,46)
InChIKeyZPMPGHIHBJKHHH-UHFFFAOYSA-N
XLogP4.97
TPSA185.29 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.89
LogP ≤ 54.97
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-tris(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 1,1,2-tris(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid (CID 18358611) is 1,1,2-tris(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 1,1,2-tris(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 1,1,2-tris(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid is CC1(C)CC(C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(CC(=O)O)C(=O)O)CC(C)(C)N1.
What is the InChIKey of 1,1,2-tris(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid?
The InChIKey is ZPMPGHIHBJKHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H61N3O8/c1-28(2)14-20(15-29(3,4)36-28)34(26(43)44,21-16-30(5,6)37-31(7,8)17-21)35(27(45)46,23(25(41)42)13-24(39)40)22-18-32(9,10)38-33(11,12)19-22/h20-23,36-38H,13-19H2,1-12H3,(H,39,40)(H,41,42)(H,43,44)(H,45,46).
What are the key properties of 1,1,2-tris(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid?
1,1,2-tris(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid has a molecular weight of 651.89 g/mol, XLogP of 4.97, 10 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tris(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 18358611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).