3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpropanoic acid

C11H21NO3 — CID 81097234

IUPAC3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpropanoic acid
SMILESCC1(O)CCN(CC(C)(C)C(=O)O)CC1
InChIInChI=1S/C11H21NO3/c1-10(2,9(13)14)8-12-6-4-11(3,15)5-7-12/h15H,4-8H2,1-3H3,(H,13,14)
InChIKeyBSHROECGYNBCCB-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.94
Rot. Bonds3

About 3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpropanoic acid

3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpropanoic acid (PubChem CID 81097234) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpropanoic acid
PubChem CID81097234
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpropanoic acid
SMILESCC1(O)CCN(CC(C)(C)C(=O)O)CC1
InChIInChI=1S/C11H21NO3/c1-10(2,9(13)14)8-12-6-4-11(3,15)5-7-12/h15H,4-8H2,1-3H3,(H,13,14)
InChIKeyBSHROECGYNBCCB-UHFFFAOYSA-N
XLogP0.94
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpropanoic acid (CID 81097234) is 3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpropanoic acid is CC1(O)CCN(CC(C)(C)C(=O)O)CC1.
What is the InChIKey of 3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpropanoic acid?
The InChIKey is BSHROECGYNBCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2,9(13)14)8-12-6-4-11(3,15)5-7-12/h15H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpropanoic acid?
3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpropanoic acid has a molecular weight of 215.29 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 81097234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).