2-(4-hydroxy-1,2,6-trimethylpiperidin-3-yl)acetic acid

C10H19NO3 — CID 82397295

IUPAC2-(4-hydroxy-1,2,6-trimethylpiperidin-3-yl)acetic acid
SMILESCC1CC(O)C(CC(=O)O)C(C)N1C
InChIInChI=1S/C10H19NO3/c1-6-4-9(12)8(5-10(13)14)7(2)11(6)3/h6-9,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyCVNSBQADWXUBNV-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.55
Rot. Bonds2

About 2-(4-hydroxy-1,2,6-trimethylpiperidin-3-yl)acetic acid

2-(4-hydroxy-1,2,6-trimethylpiperidin-3-yl)acetic acid (PubChem CID 82397295) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(4-hydroxy-1,2,6-trimethylpiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-1,2,6-trimethylpiperidin-3-yl)acetic acid
PubChem CID82397295
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-(4-hydroxy-1,2,6-trimethylpiperidin-3-yl)acetic acid
SMILESCC1CC(O)C(CC(=O)O)C(C)N1C
InChIInChI=1S/C10H19NO3/c1-6-4-9(12)8(5-10(13)14)7(2)11(6)3/h6-9,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyCVNSBQADWXUBNV-UHFFFAOYSA-N
XLogP0.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1,2,6-trimethylpiperidin-3-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-1,2,6-trimethylpiperidin-3-yl)acetic acid (CID 82397295) is 2-(4-hydroxy-1,2,6-trimethylpiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-1,2,6-trimethylpiperidin-3-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-1,2,6-trimethylpiperidin-3-yl)acetic acid is CC1CC(O)C(CC(=O)O)C(C)N1C.
What is the InChIKey of 2-(4-hydroxy-1,2,6-trimethylpiperidin-3-yl)acetic acid?
The InChIKey is CVNSBQADWXUBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6-4-9(12)8(5-10(13)14)7(2)11(6)3/h6-9,12H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-(4-hydroxy-1,2,6-trimethylpiperidin-3-yl)acetic acid?
2-(4-hydroxy-1,2,6-trimethylpiperidin-3-yl)acetic acid has a molecular weight of 201.27 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1,2,6-trimethylpiperidin-3-yl)acetic acid is sourced from PubChem (CID 82397295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).