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

C13H22N2O4 — CID 66239177

IUPAC4-[(4,4-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1(C)CCN(C(=O)NC2COCC2C(=O)O)CC1
InChIInChI=1S/C13H22N2O4/c1-13(2)3-5-15(6-4-13)12(18)14-10-8-19-7-9(10)11(16)17/h9-10H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyKNPYVBQGXJDRSG-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.92
Rot. Bonds2

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

4-[(4,4-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66239177) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[(4,4-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4,4-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66239177
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name4-[(4,4-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1(C)CCN(C(=O)NC2COCC2C(=O)O)CC1
InChIInChI=1S/C13H22N2O4/c1-13(2)3-5-15(6-4-13)12(18)14-10-8-19-7-9(10)11(16)17/h9-10H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyKNPYVBQGXJDRSG-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4,4-dimethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239386
4-[(4-propan-2-ylpiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66240346
4-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 66240185
4-[(3-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66240354
4-[(3,5-dioxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66241377
4-[(2-methylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239382
4-[(2,2-dimethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
CID 79877784
4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 115535124
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 102727427
4-[(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66240131
3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031857
4-[(2-methylthiolane-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 81451910

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(4,4-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid (CID 66239177) is 4-[(4,4-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(4,4-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(4,4-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid is CC1(C)CCN(C(=O)NC2COCC2C(=O)O)CC1.
What is the InChIKey of 4-[(4,4-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is KNPYVBQGXJDRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(2)3-5-15(6-4-13)12(18)14-10-8-19-7-9(10)11(16)17/h9-10H,3-8H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 4-[(4,4-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
4-[(4,4-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66239177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).