4-[(3,3-dimethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid

C14H24N2O4 — CID 66266137

IUPAC4-[(3,3-dimethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)N1CCCC(C)(C)C1)C1COCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-14(2)5-4-6-16(9-14)13(19)15(3)11-8-20-7-10(11)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyKRYKXDVTNZKJQA-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.26
Rot. Bonds2

About 4-[(3,3-dimethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid

4-[(3,3-dimethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid (PubChem CID 66266137) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(3,3-dimethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3,3-dimethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid
PubChem CID66266137
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[(3,3-dimethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)N1CCCC(C)(C)C1)C1COCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-14(2)5-4-6-16(9-14)13(19)15(3)11-8-20-7-10(11)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyKRYKXDVTNZKJQA-UHFFFAOYSA-N
XLogP1.26
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid
CID 104967966
4-[(2-ethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66265512
4-[methyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66266721
4-[methyl-[(1-methylcyclopentyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66267710
4-[methyl-(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66235604
4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid
CID 66267283
4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236752
4-[methyl-(4-methylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 66236430
4-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66236830
4-[(1-carbamoylpiperidine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66235535
4-[(4,4-dimethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239386
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-dimethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3,3-dimethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid (CID 66266137) is 4-[(3,3-dimethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3,3-dimethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3,3-dimethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid is CN(C(=O)N1CCCC(C)(C)C1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(3,3-dimethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The InChIKey is KRYKXDVTNZKJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2)5-4-6-16(9-14)13(19)15(3)11-8-20-7-10(11)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 4-[(3,3-dimethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid?
4-[(3,3-dimethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-dimethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66266137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).