4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-2-carboxylic acid

C15H27NO3 — CID 114621834

IUPAC4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-2-carboxylic acid
SMILESCC1CCN(C2CC(C)(C)OC2(C)C)C(C(=O)O)C1
InChIInChI=1S/C15H27NO3/c1-10-6-7-16(11(8-10)13(17)18)12-9-14(2,3)19-15(12,4)5/h10-12H,6-9H2,1-5H3,(H,17,18)
InChIKeyZJYRGUFVBWXBTJ-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.52
Rot. Bonds2

About 4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-2-carboxylic acid

4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-2-carboxylic acid (PubChem CID 114621834) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-2-carboxylic acid
PubChem CID114621834
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-2-carboxylic acid
SMILESCC1CCN(C2CC(C)(C)OC2(C)C)C(C(=O)O)C1
InChIInChI=1S/C15H27NO3/c1-10-6-7-16(11(8-10)13(17)18)12-9-14(2,3)19-15(12,4)5/h10-12H,6-9H2,1-5H3,(H,17,18)
InChIKeyZJYRGUFVBWXBTJ-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid
CID 79933599
1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid
CID 79934218
7-(2,2,5,5-tetramethyloxolan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79933602
8-(2,2,5,5-tetramethyloxolan-3-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 114623876
1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-2-carboxylic acid
CID 114426723
2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid
CID 79933505
1-(2,2,5,5-tetramethyloxolan-3-yl)azetidin-3-ol
CID 114623874
(2S)-2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine
CID 104940335
1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylic acid
CID 114621655
1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422142
4-methyl-1-propylpiperidine-2-carboxylic acid
CID 114426252
1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114549127

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-2-carboxylic acid (CID 114621834) is 4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-2-carboxylic acid is CC1CCN(C2CC(C)(C)OC2(C)C)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-2-carboxylic acid?
The InChIKey is ZJYRGUFVBWXBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-10-6-7-16(11(8-10)13(17)18)12-9-14(2,3)19-15(12,4)5/h10-12H,6-9H2,1-5H3,(H,17,18).
What are the key properties of 4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-2-carboxylic acid?
4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-2-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114621834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).