2,2-dimethylbutanedioic acid;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol

C17H33NO6 — CID 18329128

IUPAC2,2-dimethylbutanedioic acid;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC(C)(CC(=O)O)C(=O)O.CC(O)N1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C11H23NO2.C6H10O4/c1-8(13)12-10(2,3)6-9(14)7-11(12,4)5;1-6(2,5(9)10)3-4(7)8/h8-9,13-14H,6-7H2,1-5H3;3H2,1-2H3,(H,7,8)(H,9,10)
InChIKeyNWXSPTBUFPTTKZ-UHFFFAOYSA-N
MW347.45 g/mol
LogP1.91
Rot. Bonds4

About 2,2-dimethylbutanedioic acid;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol

2,2-dimethylbutanedioic acid;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 18329128) has the molecular formula C17H33NO6 and a molecular weight of 347.45 g/mol. Its IUPAC name is 2,2-dimethylbutanedioic acid;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name2,2-dimethylbutanedioic acid;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID18329128
Molecular FormulaC17H33NO6
Molecular Weight347.45 g/mol
Exact Mass347.23
IUPAC Name2,2-dimethylbutanedioic acid;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC(C)(CC(=O)O)C(=O)O.CC(O)N1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C11H23NO2.C6H10O4/c1-8(13)12-10(2,3)6-9(14)7-11(12,4)5;1-6(2,5(9)10)3-4(7)8/h8-9,13-14H,6-7H2,1-5H3;3H2,1-2H3,(H,7,8)(H,9,10)
InChIKeyNWXSPTBUFPTTKZ-UHFFFAOYSA-N
XLogP1.91
TPSA118.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutanedioic acid;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 2,2-dimethylbutanedioic acid;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol (CID 18329128) is 2,2-dimethylbutanedioic acid;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 2,2-dimethylbutanedioic acid;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 2,2-dimethylbutanedioic acid;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol is CC(C)(CC(=O)O)C(=O)O.CC(O)N1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 2,2-dimethylbutanedioic acid;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is NWXSPTBUFPTTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.C6H10O4/c1-8(13)12-10(2,3)6-9(14)7-11(12,4)5;1-6(2,5(9)10)3-4(7)8/h8-9,13-14H,6-7H2,1-5H3;3H2,1-2H3,(H,7,8)(H,9,10).
What are the key properties of 2,2-dimethylbutanedioic acid;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol?
2,2-dimethylbutanedioic acid;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 347.45 g/mol, XLogP of 1.91, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutanedioic acid;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 18329128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).