4-methyl-1-(2-methylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid

C13H22N2O3 — CID 114424626

IUPAC4-methyl-1-(2-methylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)C2(C)CCCN2)C(C(=O)O)C1
InChIInChI=1S/C13H22N2O3/c1-9-4-7-15(10(8-9)11(16)17)12(18)13(2)5-3-6-14-13/h9-10,14H,3-8H2,1-2H3,(H,16,17)
InChIKeyDFSXRCJUJXIPJD-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.84
Rot. Bonds2

About 4-methyl-1-(2-methylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid

4-methyl-1-(2-methylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 114424626) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-methylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID114424626
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-methyl-1-(2-methylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)C2(C)CCCN2)C(C(=O)O)C1
InChIInChI=1S/C13H22N2O3/c1-9-4-7-15(10(8-9)11(16)17)12(18)13(2)5-3-6-14-13/h9-10,14H,3-8H2,1-2H3,(H,16,17)
InChIKeyDFSXRCJUJXIPJD-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(2-methylpiperidine-2-carbonyl)piperidine-2-carboxylic acid
CID 114424707
(2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 113430852
2-methyl-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 104596985
4-methyl-1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylic acid
CID 115867385
4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid
CID 104921848
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpiperidin-2-yl)methanone
CID 104597165
4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
CID 114425614
1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425520
1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 115867436
3-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030179
cis-(1R,3S)-3-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114173484
1-(2-aminocyclohexanecarbonyl)-4-methylpiperidine-2-carboxylic acid
CID 115867406

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-methylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid (CID 114424626) is 4-methyl-1-(2-methylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-methylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-methylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid is CC1CCN(C(=O)C2(C)CCCN2)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-(2-methylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is DFSXRCJUJXIPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9-4-7-15(10(8-9)11(16)17)12(18)13(2)5-3-6-14-13/h9-10,14H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-1-(2-methylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid?
4-methyl-1-(2-methylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114424626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).