2-[(3S)-1-hydroxy-2,2,6,6-tetramethyl-4-oxopiperidin-3-yl]acetic acid

C11H19NO4 — CID 171395794

IUPAC2-[(3S)-1-hydroxy-2,2,6,6-tetramethyl-4-oxopiperidin-3-yl]acetic acid
SMILESCC1(C)CC(=O)[C@@H](CC(=O)O)C(C)(C)N1O
InChIInChI=1S/C11H19NO4/c1-10(2)6-8(13)7(5-9(14)15)11(3,4)12(10)16/h7,16H,5-6H2,1-4H3,(H,14,15)/t7-/m1/s1
InChIKeyXWPWCDOHLYBVGI-SSDOTTSWSA-N
MW229.28 g/mol
LogP1.30
Rot. Bonds2

About 2-[(3S)-1-hydroxy-2,2,6,6-tetramethyl-4-oxopiperidin-3-yl]acetic acid

2-[(3S)-1-hydroxy-2,2,6,6-tetramethyl-4-oxopiperidin-3-yl]acetic acid (PubChem CID 171395794) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[(3S)-1-hydroxy-2,2,6,6-tetramethyl-4-oxopiperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-1-hydroxy-2,2,6,6-tetramethyl-4-oxopiperidin-3-yl]acetic acid
PubChem CID171395794
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[(3S)-1-hydroxy-2,2,6,6-tetramethyl-4-oxopiperidin-3-yl]acetic acid
SMILESCC1(C)CC(=O)[C@@H](CC(=O)O)C(C)(C)N1O
InChIInChI=1S/C11H19NO4/c1-10(2)6-8(13)7(5-9(14)15)11(3,4)12(10)16/h7,16H,5-6H2,1-4H3,(H,14,15)/t7-/m1/s1
InChIKeyXWPWCDOHLYBVGI-SSDOTTSWSA-N
XLogP1.30
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-hydroxy-2,2,6,6-tetramethyl-4-oxopiperidin-3-yl]acetic acid?
The IUPAC name of 2-[(3S)-1-hydroxy-2,2,6,6-tetramethyl-4-oxopiperidin-3-yl]acetic acid (CID 171395794) is 2-[(3S)-1-hydroxy-2,2,6,6-tetramethyl-4-oxopiperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-1-hydroxy-2,2,6,6-tetramethyl-4-oxopiperidin-3-yl]acetic acid?
The canonical SMILES for 2-[(3S)-1-hydroxy-2,2,6,6-tetramethyl-4-oxopiperidin-3-yl]acetic acid is CC1(C)CC(=O)[C@@H](CC(=O)O)C(C)(C)N1O.
What is the InChIKey of 2-[(3S)-1-hydroxy-2,2,6,6-tetramethyl-4-oxopiperidin-3-yl]acetic acid?
The InChIKey is XWPWCDOHLYBVGI-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H19NO4/c1-10(2)6-8(13)7(5-9(14)15)11(3,4)12(10)16/h7,16H,5-6H2,1-4H3,(H,14,15)/t7-/m1/s1.
What are the key properties of 2-[(3S)-1-hydroxy-2,2,6,6-tetramethyl-4-oxopiperidin-3-yl]acetic acid?
2-[(3S)-1-hydroxy-2,2,6,6-tetramethyl-4-oxopiperidin-3-yl]acetic acid has a molecular weight of 229.28 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-hydroxy-2,2,6,6-tetramethyl-4-oxopiperidin-3-yl]acetic acid is sourced from PubChem (CID 171395794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).