3-[(2,3-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid

C13H22N2O4 — CID 64891666

IUPAC3-[(2,3-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1CCCN(C(=O)NC2(C(=O)O)CCOC2)C1C
InChIInChI=1S/C13H22N2O4/c1-9-4-3-6-15(10(9)2)12(18)14-13(11(16)17)5-7-19-8-13/h9-10H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyOPGDFWYUFAGMCH-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.06
Rot. Bonds2

About 3-[(2,3-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid

3-[(2,3-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 64891666) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[(2,3-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2,3-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID64891666
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name3-[(2,3-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1CCCN(C(=O)NC2(C(=O)O)CCOC2)C1C
InChIInChI=1S/C13H22N2O4/c1-9-4-3-6-15(10(9)2)12(18)14-13(11(16)17)5-7-19-8-13/h9-10H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyOPGDFWYUFAGMCH-UHFFFAOYSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64891868
3-[(3-methylmorpholine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 64891042
3-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 116635668
3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64892475
3-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid
CID 64889977
3-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 64893474
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 106836803
4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid
CID 115293181
3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 79165623
3-[(3-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 114082343
4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 115292816
3-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 64890817

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(2,3-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid (CID 64891666) is 3-[(2,3-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(2,3-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(2,3-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid is CC1CCCN(C(=O)NC2(C(=O)O)CCOC2)C1C.
What is the InChIKey of 3-[(2,3-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is OPGDFWYUFAGMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9-4-3-6-15(10(9)2)12(18)14-13(11(16)17)5-7-19-8-13/h9-10H,3-8H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 3-[(2,3-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(2,3-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64891666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).