3,4-dimethyl-2-(1,2,2,6,6-pentamethylpiperidin-3-yl)pentane-1,2,3,4-tetracarboxylic acid

C21H35NO8 — CID 172755881

IUPAC3,4-dimethyl-2-(1,2,2,6,6-pentamethylpiperidin-3-yl)pentane-1,2,3,4-tetracarboxylic acid
SMILESCN1C(C)(C)CCC(C(CC(=O)O)(C(=O)O)C(C)(C(=O)O)C(C)(C)C(=O)O)C1(C)C
InChIInChI=1S/C21H35NO8/c1-17(2)10-9-12(19(5,6)22(17)8)21(16(29)30,11-13(23)24)20(7,15(27)28)18(3,4)14(25)26/h12H,9-11H2,1-8H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)
InChIKeyLABOEYFXRQDLHO-UHFFFAOYSA-N
MW429.51 g/mol
LogP2.63
Rot. Bonds8

About 3,4-dimethyl-2-(1,2,2,6,6-pentamethylpiperidin-3-yl)pentane-1,2,3,4-tetracarboxylic acid

3,4-dimethyl-2-(1,2,2,6,6-pentamethylpiperidin-3-yl)pentane-1,2,3,4-tetracarboxylic acid (PubChem CID 172755881) has the molecular formula C21H35NO8 and a molecular weight of 429.51 g/mol. Its IUPAC name is 3,4-dimethyl-2-(1,2,2,6,6-pentamethylpiperidin-3-yl)pentane-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name3,4-dimethyl-2-(1,2,2,6,6-pentamethylpiperidin-3-yl)pentane-1,2,3,4-tetracarboxylic acid
PubChem CID172755881
Molecular FormulaC21H35NO8
Molecular Weight429.51 g/mol
Exact Mass429.24
IUPAC Name3,4-dimethyl-2-(1,2,2,6,6-pentamethylpiperidin-3-yl)pentane-1,2,3,4-tetracarboxylic acid
SMILESCN1C(C)(C)CCC(C(CC(=O)O)(C(=O)O)C(C)(C(=O)O)C(C)(C)C(=O)O)C1(C)C
InChIInChI=1S/C21H35NO8/c1-17(2)10-9-12(19(5,6)22(17)8)21(16(29)30,11-13(23)24)20(7,15(27)28)18(3,4)14(25)26/h12H,9-11H2,1-8H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)
InChIKeyLABOEYFXRQDLHO-UHFFFAOYSA-N
XLogP2.63
TPSA152.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3,4-dimethyl-2-(1,2,2,6,6-pentamethylpiperidin-3-yl)pentane-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 3,4-dimethyl-2-(1,2,2,6,6-pentamethylpiperidin-3-yl)pentane-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 3,4-dimethyl-2-(1,2,2,6,6-pentamethylpiperidin-3-yl)pentane-1,2,3,4-tetracarboxylic acid (CID 172755881) is 3,4-dimethyl-2-(1,2,2,6,6-pentamethylpiperidin-3-yl)pentane-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 3,4-dimethyl-2-(1,2,2,6,6-pentamethylpiperidin-3-yl)pentane-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 3,4-dimethyl-2-(1,2,2,6,6-pentamethylpiperidin-3-yl)pentane-1,2,3,4-tetracarboxylic acid is CN1C(C)(C)CCC(C(CC(=O)O)(C(=O)O)C(C)(C(=O)O)C(C)(C)C(=O)O)C1(C)C.
What is the InChIKey of 3,4-dimethyl-2-(1,2,2,6,6-pentamethylpiperidin-3-yl)pentane-1,2,3,4-tetracarboxylic acid?
The InChIKey is LABOEYFXRQDLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO8/c1-17(2)10-9-12(19(5,6)22(17)8)21(16(29)30,11-13(23)24)20(7,15(27)28)18(3,4)14(25)26/h12H,9-11H2,1-8H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30).
What are the key properties of 3,4-dimethyl-2-(1,2,2,6,6-pentamethylpiperidin-3-yl)pentane-1,2,3,4-tetracarboxylic acid?
3,4-dimethyl-2-(1,2,2,6,6-pentamethylpiperidin-3-yl)pentane-1,2,3,4-tetracarboxylic acid has a molecular weight of 429.51 g/mol, XLogP of 2.63, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-(1,2,2,6,6-pentamethylpiperidin-3-yl)pentane-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 172755881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).