1,1,2,3-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid

C48H86N4O8 — CID 22035406

IUPAC1,1,2,3-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
SMILESCN1C(C)(C)CC(C(CC(=O)O)(C(=O)O)C(C(=O)O)(C2CC(C)(C)N(C)C(C)(C)C2)C(C(=O)O)(C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C48H86N4O8/c1-38(2)21-30(22-39(3,4)49(38)17)46(35(55)56,29-34(53)54)48(37(59)60,33-27-44(13,14)52(20)45(15,16)28-33)47(36(57)58,31-23-40(5,6)50(18)41(7,8)24-31)32-25-42(9,10)51(19)43(11,12)26-32/h30-33H,21-29H2,1-20H3,(H,53,54)(H,55,56)(H,57,58)(H,59,60)
InChIKeyFJFRWWZOZUFSTB-UHFFFAOYSA-N
MW847.24 g/mol
LogP8.27
Rot. Bonds11

About 1,1,2,3-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid

1,1,2,3-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid (PubChem CID 22035406) has the molecular formula C48H86N4O8 and a molecular weight of 847.24 g/mol. Its IUPAC name is 1,1,2,3-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name1,1,2,3-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
PubChem CID22035406
Molecular FormulaC48H86N4O8
Molecular Weight847.24 g/mol
Exact Mass846.64
IUPAC Name1,1,2,3-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
SMILESCN1C(C)(C)CC(C(CC(=O)O)(C(=O)O)C(C(=O)O)(C2CC(C)(C)N(C)C(C)(C)C2)C(C(=O)O)(C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C48H86N4O8/c1-38(2)21-30(22-39(3,4)49(38)17)46(35(55)56,29-34(53)54)48(37(59)60,33-27-44(13,14)52(20)45(15,16)28-33)47(36(57)58,31-23-40(5,6)50(18)41(7,8)24-31)32-25-42(9,10)51(19)43(11,12)26-32/h30-33H,21-29H2,1-20H3,(H,53,54)(H,55,56)(H,57,58)(H,59,60)
InChIKeyFJFRWWZOZUFSTB-UHFFFAOYSA-N
XLogP8.27
TPSA162.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.24
LogP ≤ 58.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1,1,2,3-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 1,1,2,3-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid (CID 22035406) is 1,1,2,3-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 1,1,2,3-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 1,1,2,3-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid is CN1C(C)(C)CC(C(CC(=O)O)(C(=O)O)C(C(=O)O)(C2CC(C)(C)N(C)C(C)(C)C2)C(C(=O)O)(C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 1,1,2,3-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid?
The InChIKey is FJFRWWZOZUFSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H86N4O8/c1-38(2)21-30(22-39(3,4)49(38)17)46(35(55)56,29-34(53)54)48(37(59)60,33-27-44(13,14)52(20)45(15,16)28-33)47(36(57)58,31-23-40(5,6)50(18)41(7,8)24-31)32-25-42(9,10)51(19)43(11,12)26-32/h30-33H,21-29H2,1-20H3,(H,53,54)(H,55,56)(H,57,58)(H,59,60).
What are the key properties of 1,1,2,3-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid?
1,1,2,3-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid has a molecular weight of 847.24 g/mol, XLogP of 8.27, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 22035406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).