3-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)propanoic acid

C11H21NO3 — CID 59393895

IUPAC3-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)propanoic acid
SMILESCC1(C)CN(CCC(=O)O)CCC1(C)O
InChIInChI=1S/C11H21NO3/c1-10(2)8-12(6-4-9(13)14)7-5-11(10,3)15/h15H,4-8H2,1-3H3,(H,13,14)
InChIKeyYBLGZUZATYZGFG-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.94
Rot. Bonds3

About 3-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)propanoic acid

3-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)propanoic acid (PubChem CID 59393895) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)propanoic acid
PubChem CID59393895
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)propanoic acid
SMILESCC1(C)CN(CCC(=O)O)CCC1(C)O
InChIInChI=1S/C11H21NO3/c1-10(2)8-12(6-4-9(13)14)7-5-11(10,3)15/h15H,4-8H2,1-3H3,(H,13,14)
InChIKeyYBLGZUZATYZGFG-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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Related Compounds

3-[4-(4-ethylphenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]propanoic acid
CID 91328680
3-(2-azaspiro[4.5]decan-2-yl)propanoic acid
CID 119138157
5-(3-fluoro-3-methylpyrrolidin-1-yl)pentanoic acid
CID 163404212
3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoic acid
CID 102744515
3-(7-azaspiro[3.5]nonan-7-yl)propanoic acid
CID 126990330
methyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanoate
CID 103729366
3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid
CID 124692793
5-(4-hydroxy-4-methylazepan-1-yl)pentanoic acid
CID 107405145
3-(4,4-difluoro-3-methylpiperidin-1-yl)propanoic acid
CID 130669966
3-(4,4-difluoroazepan-1-yl)propanoic acid
CID 115025049
3-[10-(2-carboxyethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propanoic acid
CID 22889167
3-(4-hydroxy-1-propylpiperidin-4-yl)propanoic acid
CID 66323410

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)propanoic acid?
The IUPAC name of 3-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)propanoic acid (CID 59393895) is 3-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 3-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)propanoic acid is CC1(C)CN(CCC(=O)O)CCC1(C)O.
What is the InChIKey of 3-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)propanoic acid?
The InChIKey is YBLGZUZATYZGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2)8-12(6-4-9(13)14)7-5-11(10,3)15/h15H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 3-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)propanoic acid?
3-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)propanoic 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-3,3,4-trimethylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 59393895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).