2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylbutanedioic acid

C14H25NO5 — CID 69258526

IUPAC2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylbutanedioic acid
SMILESCC(CC(=O)O)(C(=O)O)C1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C14H25NO5/c1-12(2)6-9(7-13(3,4)15(12)20)14(5,11(18)19)8-10(16)17/h9,20H,6-8H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyPCFJMVAGIWTOSR-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.21
Rot. Bonds4

About 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylbutanedioic acid

2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylbutanedioic acid (PubChem CID 69258526) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylbutanedioic acid.

Molecular Properties

Compound Name2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylbutanedioic acid
PubChem CID69258526
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylbutanedioic acid
SMILESCC(CC(=O)O)(C(=O)O)C1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C14H25NO5/c1-12(2)6-9(7-13(3,4)15(12)20)14(5,11(18)19)8-10(16)17/h9,20H,6-8H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyPCFJMVAGIWTOSR-UHFFFAOYSA-N
XLogP2.21
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylbutanedioic acid?
The IUPAC name of 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylbutanedioic acid (CID 69258526) is 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylbutanedioic acid.
What is the SMILES notation for 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylbutanedioic acid?
The canonical SMILES for 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylbutanedioic acid is CC(CC(=O)O)(C(=O)O)C1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylbutanedioic acid?
The InChIKey is PCFJMVAGIWTOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-12(2)6-9(7-13(3,4)15(12)20)14(5,11(18)19)8-10(16)17/h9,20H,6-8H2,1-5H3,(H,16,17)(H,18,19).
What are the key properties of 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylbutanedioic acid?
2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylbutanedioic acid has a molecular weight of 287.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylbutanedioic acid is sourced from PubChem (CID 69258526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).