4-methyl-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carboxylic acid

C15H25NO4 — CID 114422001

IUPAC4-methyl-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)C2C(C)OC(C)C2C)C(C(=O)O)C1
InChIInChI=1S/C15H25NO4/c1-8-5-6-16(12(7-8)15(18)19)14(17)13-9(2)10(3)20-11(13)4/h8-13H,5-7H2,1-4H3,(H,18,19)
InChIKeyRAKJGBLNQMDVNX-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.76
Rot. Bonds2

About 4-methyl-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carboxylic acid

4-methyl-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 114422001) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-methyl-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID114422001
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name4-methyl-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)C2C(C)OC(C)C2C)C(C(=O)O)C1
InChIInChI=1S/C15H25NO4/c1-8-5-6-16(12(7-8)15(18)19)14(17)13-9(2)10(3)20-11(13)4/h8-13H,5-7H2,1-4H3,(H,18,19)
InChIKeyRAKJGBLNQMDVNX-UHFFFAOYSA-N
XLogP1.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 65157417
4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid
CID 104921848
methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylate
CID 65160003
4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidine-2-carboxylic acid
CID 114425695
1-(2-aminocyclohexanecarbonyl)-4-methylpiperidine-2-carboxylic acid
CID 115867406
1-(2,2-dimethylbutanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421662
1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 65157522
1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425171
1-(2,3-dihydro-1H-indene-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 106892485
1-[2-(aminomethyl)cyclopentanecarbonyl]-4-methylpiperidine-2-carboxylic acid
CID 114424736
1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 115867436
(4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 58822358

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carboxylic acid (CID 114422001) is 4-methyl-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carboxylic acid is CC1CCN(C(=O)C2C(C)OC(C)C2C)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is RAKJGBLNQMDVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-8-5-6-16(12(7-8)15(18)19)14(17)13-9(2)10(3)20-11(13)4/h8-13H,5-7H2,1-4H3,(H,18,19).
What are the key properties of 4-methyl-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carboxylic acid?
4-methyl-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114422001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).