3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]propanoic acid

C11H21NO2 — CID 83908252

IUPAC3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]propanoic acid
SMILESC[C@@H]1CC(CCC(=O)O)C[C@H](C)N1C
InChIInChI=1S/C11H21NO2/c1-8-6-10(4-5-11(13)14)7-9(2)12(8)3/h8-10H,4-7H2,1-3H3,(H,13,14)/t8-,9+,10?
InChIKeyOVUUFSZLWPAEBD-ULKQDVFKSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds3

About 3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]propanoic acid

3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]propanoic acid (PubChem CID 83908252) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]propanoic acid
PubChem CID83908252
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]propanoic acid
SMILESC[C@@H]1CC(CCC(=O)O)C[C@H](C)N1C
InChIInChI=1S/C11H21NO2/c1-8-6-10(4-5-11(13)14)7-9(2)12(8)3/h8-10H,4-7H2,1-3H3,(H,13,14)/t8-,9+,10?
InChIKeyOVUUFSZLWPAEBD-ULKQDVFKSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Methylpiperidin-2-yl)acetic acid
CID 3159683
3-(1-Acetylpiperidin-4-yl)propanoic acid
CID 9855751
4-(2-Methylpiperidin-4-yl)butanoic acid--hydrogen chloride (1/1)
CID 3051311
3-(Dimethylamino)cyclohexane-1-carboxylic acid
CID 22449123
2-(1-Methylpiperidin-2-yl)acetic acid hydrochloride
CID 45156844
1-Methyl-2-piperidinepropanoic acid
CID 45791119
3-Tropanecarboxylic acid hydrochloride
CID 67400496
3-(1-Methylpiperidin-4-yl)propanoic acid hydrochloride
CID 67402292
1,3-Dimethylpiperidine-2-carboxylic acid
CID 91188555
[(1R,2R)-2-carboxycyclohexyl]-trimethylazanium chloride
CID 44382200
3-(1-Methylpiperidin-2-yl)propanoic acid hydrochloride
CID 75525929
3-(1-Methyl-3-piperidinyl)propanoic acid hydrochloride
CID 75530780

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]propanoic acid?
The IUPAC name of 3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]propanoic acid (CID 83908252) is 3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]propanoic acid is C[C@@H]1CC(CCC(=O)O)C[C@H](C)N1C.
What is the InChIKey of 3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]propanoic acid?
The InChIKey is OVUUFSZLWPAEBD-ULKQDVFKSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8-6-10(4-5-11(13)14)7-9(2)12(8)3/h8-10H,4-7H2,1-3H3,(H,13,14)/t8-,9+,10?.
What are the key properties of 3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]propanoic acid?
3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]propanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]propanoic acid is sourced from PubChem (CID 83908252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).